REGISTRY/ZREGISTRY (CAS REGISTRYSM)
Subject
Coverage• All types of inorganic and organic substances, including alloys, coordination
compounds, minerals, mixtures, polymers, salts, high throughput screening (HTS)
compounds as well as nucleic acid and protein sequences• Substances included in REGISTRY meet the following criteria:- Identified by CAS as coming from a reputable source, including but not limited topatents, journals, chemical catalogs, and selected substance collections on theweb- Described in largely unambiguous terms- Characterized by physical methods or described in a patent document example orclaim- Consistent with the laws of atomic covalent organization• Experimental and predicted property data and tags and spectra data

File Type

Numeric, Structure

Features

Alerts (SDIs)

Biweekly
In addition, SMARTracker, an automatic crossfile current-awareness search,(SDI XFILE) using a REGISTRY search profile in CA, HCA, ZCA, CAplus,
HCAplus or ZCAplus may be run weekly or biweekly (weekly is the default).

CAS Registry
Number® IdentifiersKeep & Share



SLART



Learning Database

STN Easy®

Structures



RecordContent• CAS Registry Numbers• CA index names and commonly usedchemical names and trade names• Molecular formulas• Structure diagrams• Sequence data
• Alloy composition tables• Classes for polymers• Ring analysis data

• Experimental and predicted property
data and tags
• Spectra• List of databases and regulatory listings
containing information on the substances• Super roles and document type
information from CAplusSM• Displayable information for 10 mostrecent references for substances

File SizeMore than 276 million organic and inorganic substances; more than 73.8 million
sequences (02/2023)

Coverage

Early 1800s to the present

UpdatesDaily

Language

English

Database
ProducerCAS
2540 Olentangy River Road
P.O. Box 3012
Columbus, Ohio 43210-0012 USA
Phone: 800-753-4227 (North America)
Phone: 614-447-3731 (worldwide)
Email: help@cas.org
Copyright Holder

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REGISTRY/ZREGISTRY

Sources• The CAS Registry System - the computer system that automatically identifies andcatalogs all substance information that CAS selects from journal articles, patents,
conference proceedings, and other published sources• GenBank® (registered trademark of the U.S. Department of Health and Human
Services) - a database repository containing millions of sequences• Special collections of substance data such as substance information listed on various
international, national, and state regulatory inventories and lists as well as reputable
web collections of substances to which CAS has assigned CAS Registry Numbers

User Aids• Online Helps (HELP DIRECTORY lists
all help messages available)• STNGUIDE

Clusters• CASLINK• CASRNS• HCASLINK• NUMERIC• STRUCTURE
STN Database Clusters Information..

RelatedDatabases

LREGISTRY

PricingEnter HELP COST at an arrow prompt.

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REGISTRY/ZREGISTRYSEARCH and DISPLAY Field Codes
Fields that allow left truncation (/CNS, /ENTE, /NTE) are marked with an asterisk (*).
You can also search any REGISTRY search term including structures directly in CAplus using REG1stRY. To
search a REGISTRY term in CAplus, enter the SEARCH command and your term followed by the REGISTRY
field code, followed by /REG, e.g., SEARCH FENFLURAMINE/CN/REG. The REGISTRY search and crossover toCAplus are performed automatically, and only the final CAplus answer set L-number is shown. Enter HELP FIRST
at an arrow prompt in CAplus for more information.
The POLYLINK command is available for more comprehensive searching of condensation polymers. Enter HELPPOLYLINK at an arrow prompt for online information.
The SEQLINK command is available for more comprehensive, CAS Registry Number-based searching of protein
and nucleic acid sequences. Enter HELP SEQLINK at an arrow prompt for online information.

Substance Data Fields
SearchCode

Search Field Name

Display
Codes

Search Examples

Basic Index (contains name fragments,
molecular formula fragments, andCollective Index codes) (1)None (or /BI)S TOSYLS DIMETHYL ADIPATE
S 6CI
S 1,1(W)DICHLOROS C5H10BR2O2

AF, CN, IN, MF

CAS Registry Number/RN

RN, AR, DR, PR

Component Class Identifier(codes orterms as a bound phrase)
Class Identifier (codes or terms as abound phrase)
Component Registry Number
Definition
Deleted CAS Registry Number
Entry Date (2)Field Availability (codes or terms as abound phrase)
File Segment (acronyms or single
words)/CCI

Number of References in the CA File
(2)
Number of References in the CA Filefor Non-Specific Derivatives (2)Number of References in the CAplus
File (2)Polymer Class Term (code or text)/REF.CAS 97-77-8/RN
S 97-77-8
S MXS/CCIS CCS/CCIS MXS/CI
S ALLOY/CI
S 79-10-7/CRN
S HYDROCARBONS/DEF
S 50-83-9/DR
S 20040101/ED
S RSD/FA AND L5
S MATERIAL COMPOSITION/ FA
S PROTEIN/FSS PS/FS
S NUCLEIC/FSS L1 AND REF.CA<=10/REF.CADS L3 AND 1/REF.CAD

REF/REF.CAPLUS

S L2 NOT REF.CAPLUS>10

REF

/PCT

PCT

Polymer Class Term Count (2)Registry Number Locator/PCT.CNT/LC

Replacing CAS Registry Number
Source of Registration
Update Date (2)

/RR
/SR
/UP

S POLYAMINE/PCTS PM/PCTS 2-3/PCT.CNT
S TSCA/LC
S GENBANK/LC
S L1 AND CA/LC
S 50-01-1/RR
S CHEMICAL LIBRARY/SR
S UP>=20040101

/CI
/CRN
/DEF
/DR
/ED
/FA
/FS

CCI

CRN
DEF
DR
ED
Not displayed
FS

REF

PCT
LC

RR
SR
Not displayed(1) Formula fragments searched in the Basic Index must be entered without spaces.
(2) Numeric search field that may be searched using numeric operators or ranges.

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REGISTRY/ZREGISTRY

Nomenclature Fields
SearchCode

Search Field Name
Chemical Name

/CN

Chemical Name Segment * (1)/CNS

Editor Note * (1)Heading Parent
Index Name Segment Heading Parent
Index Name Segment NonHeading Parent
Other Name Segment

/ENTE
/HP
/INS.HP/INS.NHP/ONS

Search Examples
S 1-CHLORO-1, 3-BUTADIENE/CNS INTERFERON .ALPHA.1?/CN
S GENBANK M12334/CN
S IMINO/CNSS ?QUAT?/CNS NOT AQUAS ?ENZYM?/ENTES BENZOIC ACID/HP
S METHYLETHYL/INS.HP
S ACRYLO/INS.NHPS ANILINE/ONS

Display
Codes
CN, INCN, IN
ENTE
CN, INCN, INCN, IN
CN(1) With left truncation, the input term must contain at least 4 characters.

Molecular Formula Fields
SearchCode

Search Field Name
Atom Count (1)Element Count (1)Element Count for Substance (1)Element Formula (2)Element Ratio, xx (where xx = CH, CN, CO,
HC, HN, HO, NC, NH, NO, OC, OH, orON) (1)Element Symbol
Element Symbol for Multicomponent
FormulaFormula Weight (1)Material Composition (3)Molecular Formula (4)

/ATC
/ELC
/ELC.SUB/ELF/ELR.xx

Number of Components (1)Periodic Group

/NC
/PG

Relative Composition
Specific Element Count (1)/RC/Element
Symbol/ELS/ELS.MCF
/FW
/MAC
/MF

Search Examples

DisplayCodes

S 5/ATC
S 7-9/ELCS ELC.SUB>=8
S AL CO LA O/ELF
S 3.1666667/ELR.CH
S 1-2/ELR.CNS ELR.CO<=1
S B/ELS AND H/ELSS (N (XA) P)/ELS.MCF

Not displayed
Not displayed
Not displayed
AF, MFNot displayed

S 420-460/FW
S 1-5 ND/MAC
S C7H3BR2FO2/MF
S C4H4O4.2NA/MF
S C24 H37 OS P3/MF
S F/ELS NOT NC>=2
S B6/PGS LNTH/PG
S FE.CR.NI/RC
S 7/SI

Not displayed
STR
AF, MFNot displayed
Not displayed

Not displayed
Not displayed
Not displayed
Not displayed(1) Numeric search field that may be searched using numeric operators or ranges.
(2) Formulas must be entered with spaces between the elements.
(3) Combined numeric and text field. Composition terms are numeric and may be searched using numeric operators or ranges. Component
terms are text terms.
(4) Formulas may be entered with or without spaces.

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CAS REGISTRY

Ring Analysis Data Fields
SearchCode

Search Field Name

Search Examples

Display
Codes

Elemental Analysis for Ring System (andnumber of occurrences of EA in acomponent structure) (1)Elemental Analysis for Smallest Ring (andnumber of occurrences of EAS in a ringsystem) (1)Elemental Sequence for Ring System (andnumber of occurrences of ES in acomponent structure) (1)Elemental Sequence for Smallest Ring (andnumber of occurrences of ESS in a ringsystem) (1)
Number of Ring Systems (2)Number of Ring Systems in a Component(2)
Number of Rings (number of smallest rings)(2)
Number of Rings in a Component (numberof smallest rings) (2)
Number of Rings in Ring System (2)Ring Atom Count (2)Ring Element (and number of occurrencesof REL in a ring system) (1)Ring Element Count (2)Ring Elemental Formula (and number ofoccurrences of RELF in a component
structure) (1,3)
Ring Identifier (and number of occurrencesof RID in a component structure) (1)/EA

S C4N-C5N/EA
S 2 C3NO-C6/EA

RSD

/EAS

S C5NO4/EAS
S >9 C6/EAS

Not displayed/ES

S NCOC2-C6/ES
S 1-3 O2C4/ES

RSD, SRSD/ESS

S FE3/ESSS >=2 SC2SC2/ESS

Not displayed

/NRS
/CNRS

S 7/NRSS 4-5/CNRS

Not displayed
Not displayed/NR

S 10/NRNot displayed/CNR

S CNR>=12

Not displayed

/NRRS
/RATC
/REL

S 5-6/NRRS
S 4/RATCS SE/RELS 5 P/REL
S 6/RELCS C N O P/RELF
S >3 C N O/RELF

Not displayed
Not displayed
Not displayed

RSD, SRSD

Ring Size of Smallest Ring (and number ofoccurrences of SZS in a ring system)(1,2)
Ring System Formula (and number ofoccurrences of RF in a component
structure) (1)Size for the Ring System (and number ofoccurrences of SZ in a component
structure) (1)/SZSS 31779.1.2/RID
S 1938/RID
S >=2 1949.52/RID
S 8/SZS
S 5 4/SZS/RFS C20AGN4/RF
S 5 C10/RF

RSD

/SZ

S 3-4-5/SZ
S 3 5-5-6/SZ

RSD

/RELC
/RELF

/RID

Not displayed
Not displayed

Not displayed(1) The number of occurrences must be entered first in the search field. It is a numeric term and may be searched using numeric operators or
ranges.
(2) Numeric search field that may be searched using numeric operators or ranges.
(3) Formulas must be entered with spaces between the elements.

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REGISTRY/ZREGISTRY

Sequence Fields
SearchCode

Search Field Name
Notes * (1)/NTE

Nucleic Acid Count (2,3)
Nucleic Acid Type (3)Patent Annotation (4)Patent Country (4)Patent Number (4)Sequence Length/NA.CNT/NA/PNTE (/FEAT)
/PC
/PN
/SQL

Search Examples
S CYCLIC/NTE
S ?CHLORO?/NTE
S 12-42/NA.CNT
S 12-42 A/NAS RATTUS/PNTE
S US/PCS WO2000056771/PN
S G/NAS SQL<=500

Display
Codes
NTE
NA
NA
PNTE
PNTE
PNTE
SQL

(1) With left truncation, the input term must contain at least 4 characters.
(2) Numeric search field that may be searched using numeric operators or ranges.
(3) Field contains data only for nucleic acid sequences.
(4) Field contains data only for sequences indexed from patents since October 1999.

Property Search Fields (1)Search Field Name
Bioconcentration Factor (1)Bioconcentration Factor pH
Values (1)Bioconcentration Factor
Temperature (1)Boiling Point (1)Boiling Point Pressure (1)Density (1)Density Pressure (1)Density Temperature (1)Electric Conductance (1)Electric Conductance
Temperature (1)Electric Conductivity (1)Electric Conductivity
Temperature (1)Electric Resistance (1)Electric Resistance
Temperature (1)Electric Resistivity (1)Electric Resistivity
Temperature (1)Enthalpy of Vaporization (1)Enthalpy of Vaporization
Pressure (1)Experimental Properties(includes content of /ETAGand /FA) (2)Experimental Property Tags
(2,3)
Field Availability (2)Field Not Available (2)Flash Point (1)Freely Rotatable Bonds (1,4)
Glass Transition Temperature(1)

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Default Units

Search CodeSearch Examples

Display Codes

none
none

/BCF
/BCF.PH

S 4000-5000/BCF
S 4000-5000/PCF(P)7/BCF.PH

BCF
BCF

deg C

/BCF.TS 25/BCF.T

BCF

deg C
Torr
g/cm**3
Torrdeg C
Siemens
deg C

/BP
/BP.P
/DEN
/DEN.P/DEN.T/ECON/ECON.T

S 150-155/BP
S 166/BP(P)3/BP.P
S DEN>=1.002
S 800/DEN.P
S 1.0021-1.02/DEN (P) 20/DEN.T
S 377 SIEMENS/ECONS 377/ECON (P) 25/ECON.T

BP
BP
DEN
DEN
DEN
ECON
ECON

S/cm
deg C

/ECND
/ECND.T

ECND
ECND

ohm
deg C

/ERES
/ERES.T

S 1400-1900/ECND
S 1400-1900/ECND (P)1000/ECND.T
S 30-70/ERES
S 900-960/ERES (P) 235/ERES.T

ohm*cmdeg C/EREST/EREST.TS EREST>=6600
S EREST>=6600 (P) 25/EREST.T

EREST
EREST

kJ/molTorr/HVAP/HVAP.P

S 100-110/HVAPS 760/HVAP.P

HVAP
HVAP

none

/EPROPSS TENSILE STRENGTH/EPROPSEPROP, ETAG

None

/ETAG

S MASS SPECTRA/ETAG

ETAG

none
none
deg C
none
deg C

/FA
/FNA
/FP
/FRB
/TG

S HD/FAS PYRAZOL? AND HD/FNAS FP<250
S 2-5/FRB
S 7-8/TGFA
Not displayed
FP
FRB
TG

ERES
ERES

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CAS REGISTRY

Property Search Fields (1) (cont'd)
Search Field Name
Hydrogen Acceptors (1,4)
Hydrogen Donors (1,4)
Hydrogen Donor/Acceptor
Sum (1)
Koc (Organic Carbon
Adsorption Constant) (1)
Koc pH Values (1)
Koc Temperature (1)LogD (1)LogD pH Values (1)LogD Temperature (1)LogP (1,4)
LogP Temperature (1)Magnetic Moment (1)Magnetic Moment
Temperature (1)Mass Intrinsic Solubility (1)Mass Solubility (1)Mass Solubility pH (1)Mass Solubility Temperature(1)
Median Lethal Dose (1)Median Lethal Dose
Organism
Median Lethal Dose Routeof Administration
Melting Point (1,3)
Melting Point Pressure (1)Melting Point Solvent
Molar Intrinsic Solubility (1)Molar Solubility (1)Molar Solubility pH Values(1)
Molar Solubility Temperature(1)
Molar Volume (1)Molar Volume Temperature(1)
Molar Volume Pressure (1)Molecular Weight (1,4)
Optical Rotatory Power (1)Optical Rotatory Power
Concentration (1)Optical Rotatory Power
Pathlength (1)Optical Rotatory Power
Solvent
Optical Rotatory Power
Temperature (1)Optical Rotatory Power
Wavelength (1)pKa (1)
pKa Temperature (1)pKa Type

Default Units

Search CodeSearch Examples

Display Codes

none
none
none

/HAC
/HD
/HDAS

S 1-3/HAC
S HD<=5
S 12/HDAS

HAC
HD
HDAS

none

/KOC

S 100-200/KOC

KOC

none
deg C
none
none
deg C
none
deg C
uB
K

/KOC.PH/KOC.T/LOGD/LOGD.PH/LOGD.T/LOGP/LOGP.T/MM/MM.T

S 100-200/KOC(P)7/KOC.PH
S 25/KOC.T
S 2.21/LOGD
S 2.21/LOGD (P) 10/LOGD.PH
S 25/LOGD.T
S LOGP<=3
S 25/LOGP.T
S MM<=0.98
S 0.021/MM (P) 10/MM.T

KOC
KOC
LOGD
LOGD
LOGD
LOGP
LOGP
MM
MM

g/L
g/L
none
deg C

/ISLB.MASS/SLB.MASS/SLB.PH/SLB.T

S 1.3/ISLB.MASS
S 1.4/SLB.MASS
S 0.17/SLB.PH
S 0.17/SLB.PH (P) 25/SLB.T

ISLB.MASS
SLB.MASS
SLB.MASS
SLB.MASS

mg/kg
none

/LD50
/LD50.ORGN

LD50
LD50

none

/LD50.RTE

deg C
Torr
none
mol/L
mol/L
none

/MP
/MP.P
/MP.SOL/ISLB.MOL/SLB.MOL/SLB.PHS 741-745/LD50
S 741-745/LD50 (P)MOUSE/LD50.ORGN
S 450-520/LD50 (P)ORAL/LD50.RTE
S MP<=30
S 70/MP(P)2/MP.P
S ACETIC ACID/MP.SOL
S 1.6E-14/ISLB.MOLS SLB.MOL>=6S SLB.MOL>=6 (P) 7-10/SLB.PH

deg C/SLB.TS SLB.MOL>=6 (P) 25/SLB.T

SLB.MOLcm**3/mol
deg C

/MVOL
/MVOL.T

S 31.1/MVOL
S 25/MVOL.T

MVOL
MVOL

Torr
none
deg
g/100mL/MVOL.P/MW/ORP/ORP.CS 760/MVOL.P
S MW<200
S 70-80/ORP
S 0.12/ORP.C

MVOL
MW
ORP
ORP

dm

/ORP.LEN

S 43/ORP.LEN

ORP

none

/ORP.SOLS METHANOL/ORP.SOL

ORP

deg C

/ORP.TS 70-80/ORP(P)20/ORP.T

ORP

nm

/ORP.WS 546/ORP.W

ORP

none
deg C
none

/PKA
/PKA.T/PKA.TYPS PKA<=-0.62
S 25/PKA.T
S PKA<=0.52 (P) MOSTACIDIC/PKA.TYP

PKA
PKA
PKA

LD50
MP
MP
MP
ISLB.MOL
SLB.MOL
SLB.MOL

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REGISTRY/ZREGISTRY

Property Search Fields (1) (cont'd)
Search Field Name
Polar Surface Area

Default Units

Search CodeSearch Examples

Display Codes/PSA

S 3.24/PSA

PSA

Property Note (4)A**2(Angstrom**2)
none

/PNT

EPROP

Property Source Note (2)

none

/PSO

Property Type (2)

none

/PTYP

Reference Accession Number
in CA (2)Refractive Index (1)Refractive Index
Temperature (1)Refractive Index Wavelength
Spectranone/RAN.CAS MP<=30 (P)DECOMP/PNT
S MP=110(P)EXACT/PNT
S L1 NOT ACD/PSO
S L1 AND CAS/PSO
S L1 AND PREDICTED/PTYPS EXPERIMENTAL/PTYP
S 90:102811/RAN.CA

none
deg C

/RI
/RI.T

S 1.427/RI
S 1.427/RI(P)25/RI.T

RI
RI

nm
none

/RI.W
/SPEC

RI
SPEC

Tensile Strength
Tensile Strength
Temperature
Uncertainty Range
Vapor Pressure (1)Vapor Pressure
Temperature (1)

MPa
deg C

/TS
/TS.T

S 500-589.3/RI.W
S IR/SPECS NMR SPECTRA/SPEC
S MASS SPECTRA/SPEC
S PROTON SPECTRA/SPEC
S 42/TS
S 200-315/TS (P) 190/TS.T

none
Torr
deg C

/UR
/VP
/VP.T

S BP=200(P)UR<=10
S .0001-.0002/VP
S .0001-.0002/VP(P)25/VP.T

EPROP
VP
VP

PROP
PROP
EPROP

TS
TS

(1) Numeric search field that may be searched using numeric operators or ranges.
(2) Field containing text terms which are not searchable with numeric operators or ranges.
(3) For a list of search terms, refer to REGISTRY: Tagged Experimental Properties at: http://www.cas.org(4) The Property Note (/PNT) field contains property-related note terms such as COMP, SUBLM, and POLYMORPH when this information isreported. The /PNT field also contains the terms EXACT, CLOSED RANGE, OPEN RANGE. To limit your retrievals to EXACT, CLOSEDRANGE, or OPEN RANGE values, combine your numeric query with one of these terms using the (P) operator.

CAplus Super Roles and Document Type Search Fields (1)Search Field Name

SearchCode

Search Examples

Display
Codes

Document type

/DT.CAS JOURNAL/DT.CA

DT.CA

Super roles for specific substancesSuper roles for non-specific derivatives
Super roles for specific substances and non-specificderivatives
Super roles for specific substances from patents
Super roles for non-specific derivatives from patents
Super roles for specific substances and non-specificderivatives from patents
Super roles for specific substances from non-patentdocuments
Super roles for non-specific derivatives from nonpatent documents
Super roles for specific substances and non-specificderivatives from non-patent documents

/RL
/RLD
/RLS

S RACT/RLS RACT/RLDS USES/RLS

RL
RLD
RLS

/RL.P
/RLD.P/RLS.PS PREP/RL.P
S PREP/RLD.P
S PREP/RLS.P

RL.P
RLD.P
RLS

/RL.NPS PREP/RL.NP

RL.NP/RLD.NPS PROPERTIES/RLD.NP

RLD.NP/RLS.NPS COMBINATORIAL?/RLS.NP

RLS(1) Enter HELP ROLES at an arrow prompt in the file for a list of CAplus super roles that are searchable in REGISTRY.

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CAS REGISTRY

Limiting Search Codes
SearchCode

Search Field Name
Answers completely iterated
Answers incompletely iterated

Display
Code

Search Examples/COMPLETE (1)/INCOMPLETE (1)S L4/COM (2)S L4/INC (2)Not displayed
Not displayed(1) The code may be abbreviated to the first three letters.
(2) Only an L-number for an answer set created in REGISTRY may be limited.

Structure Search Terms
Terms(1)

Search Examples

L-numbers of structures built using the STRUCTURE commandor uploaded from STN Express® (Boolean logic allowed
between the L-numbers)
L-numbers of screen sets created using the SCREEN command(Boolean logic allowed between the L-numbers)
L-numbers of structures built using the STRUCTURE commandor uploaded from STN Express combined with L-numbers ofscreen sets created using the SCREEN command (Boolean
logic allowed between L-numbers)

SEARCH L1 FAM SAM
SEA L1 AND L2 SSS FUL
S L3 OR L4 SSS SAM
S L1 AND L2 NOT L3(1) The L-number answer set from a structure search may be combined with dictionary terms, e.g., S L3 AND TSCA/LC.

Types of Structure SearchingType
Substructure(default)
Closed Substructure

FamilyExact

Definition

Search CodeSearch for substances that match the query.
Substitution is allowed at all open positions.
Additional components may be retrieved.
Search for substances that match the query
exactly. Substitution is allowed at positions
opened by CONNECT. Additional
components may be retrieved.
Search for substances that match the query
exactly. Additional components may be
retrieved.
Search for substances that match the query
exactly.

SSS

CSS

Search Examples
SEARCH L1 SSS FUL
S L2 OR L3 SSS SAM
S L7 SSSSEARCH L1 CSS FUL
S L2 NOT L3 CSS
S L4 OR L5 CSS RANGEFAM

S L6 FAM SAM

EXA

SEA L5 EXA FUL

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REGISTRY/ZREGISTRY

Scopes of Structure Searches
To create an L-number answer set containing candidate structures that have passed the screening step of yourstructure search, enter EXTEND on the search command line or enter SET EXTEND ON or SET EXTEND ON
PERM at an arrow prompt (=>). For details, enter HELP SET EXTEND at an arrow prompt.
Type

Definition

Search CodeSample (1) (default)

Search a fixed 5% of the file.

SAM

Full

Search 100% of the file.

FUL

Range

Search a user-specified portion of the file.

RAN

Subset Sample

Search a fixed sample of an answer set
created by a search in REGISTRY.
Search a user-specified portion of answer set
created by a search in REGISTRY.
Search 100% of an answer set created by asearch in REGISTRY.

SUB SAM

Subset Range
Subset Full

SUB RANSUB FUL

Search Examples
SEARCH L3 EXA SAM
S L6 NOT L7 SSS SAM
S L5 OR L8 SSS FUL
S L4 RAN= (110507-58-9,)
S L3 FAM RAN= (109784-14-7,
109904-92-9)
S L7 CSS SUB=L5 SAM
S L3 SUB=L2
RAN=(,50-11-3)
S L8 SUB=L6 FAM FUL(1) EXTEND is not valid with SAMPLE.

Sequence Search Terms
Terms
One-letter codes for common amino acids (1)Three-letter codes for common and uncommon amino acids (1) (2)Enclose codes or strings of codes in single quotes. Use dashes toseparate codes in strings.
Single letter codes for nucleic acids (3)Search Example
S LAGLL/SQSPS 'LEU-ALA-GLY-LEU-LEU'/SQSFPS F'HCY-STA'LF/SQSPS 'GLP'AGYSK/SQEP
S 'CYS-ASN-THR-ALA'/SQEPS ATTTTTTTTTT/SQEN
S AAGGTTACTA/SQSN(1) Enter HELP AAC at an arrow prompt to display a table of the 1- and 3-letter codes for common amino acids.
(2) Enter HELP AAU at an arrow prompt to display a table of the 3-letter codes for uncommon amino acids.
(3) Enter HELP NUC at an arrow prompt to display a table of the codes for nucleic acids.

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CAS REGISTRY

Types of Sequence Searches
Sequence data for protein and nucleic acid sequences are displayed in the SEQ field with 1-letter codes and the
SEQ3 field with 3-letter codes for proteins only.
Type

Definition

Sequence Exact,
ProteinSequence Exact
Family, Protein

Search for sequences that match the query. The
query must be completely defined.
Search for sequences that match the query and thosein which family-equivalent substitution of the query
amino acids occur (1).
Search for exact answers plus sequences in which
the query sequence is embedded. Variability
symbols are allowed.
Search for exact subsequences, and answers inwhich family-equivalent substitution of the query
amino acids occurs (1).
Search for sequences that match the query.
Ambiguity codes for nucleic acids are allowed.
Search for exact answers, plus sequences in which
the query sequence is embedded. Ambiguity codes
for nucleic acids and variability symbols areallowed.

Subsequence,Protein
Subsequence
Family, Protein
Sequence Exact,
Nucleic Acid
Subsequence,
Nucleic Acid

Code
/SQEP
/SQEFP/SQSP/SQSFP

ExamplesS YADAIF/SQEP
S 'CYS-ASN-THR-ALA'/SQEPS YGGFL/SQEFPS 'TYR-GLY-GLY- PHELEU'/SQEFPS LAGLL/SQSPS F'HCY-STA'LF/SQSP/SQEN

S ATCXAWV/SQSFPS 'LEU-ALA-GLY-LEULEU'/SQSFPS ATTTTTTTTTT/SQEN/SQSN

S AAGGTTACTA/SQSN(1) The families of amino acid equivalents retrieved in protein family searches are:
P, A, G, S, T
Q, N, E, D, B, Z
H, K, R
L, I, V, M
F, Y, WC

(neutral, weakly hydrophobic)(hydrophilic, acid amine)(hydrophilic, basic)(hydrophobic)(hydrophobic, aromatic)(cross-link forming)

Variability Symbols for Subsequence Searches (/SQSP, /SQSFP, and/SQSN)(1,2)
SymbolFunction

Search Examples[]

To specify alternate residues

S LGP[VL]/SQSP
S LGP['VAL''LEU']/SQSP[-]To exclude a specific residue or alternate residues

S LGP[-H]/SQSP
S LGP[-'HIS']/SQSPSPS LGP[-HL]/SQSP{m}

To repeat the preceding sequence or sequence query(L#, E#, or saved query) m times

S (FL){2}/SQSP
S L4{2}/SQSP
S NAME/Q{3}/SQSP
S (CTG){2}/SQSNS TAA(TAAA){2}/SQSN

{m,u}
or
{m-u}

To repeat the preceding sequence or sequence query(L#, E#, or saved query) m to u times

S GG(FL){1,2}/SQSP
S L3{1,3}/SQSP
S NAME/Q{1,4}/SQSP
S (CTG){1,3}/SQSN

?
or
{0,1}
or
{0-1}

To repeat the preceding sequence or sequence query(L#, E#, or saved query) zero or one time

S FLRRI(RP)?K/SQSPS FLRRI(RP){0,1}K/SQSP
S L1{0-1}NN/SQSP
S NAME/Q{0,1}NN/SQSPS CAT(CGA){0,1}GGAC/SQSN
February 2023

12
REGISTRY/ZREGISTRY

Variability Symbols for Subsequence Searches (/SQSP, /SQSFP, and/SQSN) (1,2) (cont'd)SymbolFunction

Search Examples

*
or
{0,}
or
{0-}

To repeat the preceding sequence or sequence query(L#, E#, or saved query) zero or more times

S KLK(WD){0,}N/SQSPS KLK(WD)*N/SQSP
S L1{0-}NN/SQSP
S NAME/Q{0,}NN/SQSPS CAT(CTG){0,}TATT/SQSN

+
or
{1,}
or
{1-}

To repeat the preceding sequence or sequence query(L#, E#, or saved query) one or more times

S KLK(DLE){1,}/SQSPS KLK(DLE)+/SQSP
S L2{1-}/SQSP
S NAME/Q{1,}/SQSPS CAT(CTG){1,}TATT/SQSN&

To join together sequence expressions or queries (L#s,
E#s, or saved queries)

S L1&L3/SQSFP
S L2&L5{1,3}/SQSP
S NAME1/Q{2}&NAME2/Q/SQSP
S E1&E3/SQSP(1) For more information on specifying variability in subsequence queries, enter HELP SQQ at an arrow prompt.
(2) In addition, the caret and the vertical bar may be used. The caret is used at the beginning or end of a sequence to search for thatsequence at the beginning or end of a sequence field. The vertical bar is the symbol for alternation, i.e., it is used to separate alternatesequence queries.

Specifying Gaps in Subsequence Searches (/SQSP, /SQSFP, and /SQSN)
SymbolFunction

Search Examples.

A gap of one residue

S SY.RPG/SQSPS SY..RPG/SQSPSS AAG...TGC/SQSN

.{m}
or
[m.]

A gap of m residues

S SY.{2}RPG/SQSPS SY[2.]RPG/SQSP.{m,u}or.{m-u}

Gap of m to u residues

S GFF.{2,10}LSS/SQSPS GFF.{2-10}LSS/SQSPS AAG.{2,5}TGC/SQSN:

Gap of zero or one residues

S AGA:SRI/SQSFPSS AGA.?SRI/SQSFPS AGA.{0,1}SRI/SQSFPS AGA.{0-1}SRI/SQSFP

.*
or
.{0,}
or
.{0-}

Gap of zero or more residue

S HLC.*TYG/SQSPS HLC.{0,}TYG/SQSPS HLC.{0-}TYG/SQSPS AAGGCAGATG.*GCAA/SQSN.+
or.{1,} or .{1-}A gap of one or more residues

S SY.+TH/SQSFPS SY.{1,}TH/SQSFPS SY.{1-}TH/SQSFPS TCCTG.+GTGG/SQSN

or
.?
or
.{0,1}
or.{0-1}

February 2023

13
CAS REGISTRYCAS Registry BLAST® Similarity Searching
Similarity searching of peptides and nucleotides in REGISTRY using the BLAST® (Basic Local Alignment SearchTool) algorithm is also available only for commercial accounts via STN® on the WebSM or using STN Express 7.0
or higher for Windows®.

DISPLAY and PRINT Formats
You may use any of the substance information field codes, property field codes, CAplus super roles, anddocument type field codes to DISPLAY and PRINT answers. You may also use any of the CA document
reference field codes or predefined formats, but these must always be combined with one of the substanceinformation or property fields or formats. Individual substance information fields may not be combined with
substance predefined formats, e.g., D IDE RSD is not a valid request.
Multiple codes must be separated by commas or spaces. The fields are displayed or printed in the orderrequested.
Highlighting must be ON during SEARCH in order to use the HIT and KWIC formats.
The CM (Component Number) field appears in records for multicomponent substances, but it is not a custom
display field and cannot be used in display or print requests.
Format (1)
AF
AR
CCI
CCN (2)
CI
CIL
CMF
CN
COMP(3)
CRN
DEF
DR
ED
ENTE
FCN (2)
FS
IL
IN
LC
MF
PCT
PR
REF
RN
RR
RSD (4)SCN (5)SR
SRSD (6)STF (7)
STR (8)STS (7,8)
NA
NTE
PNTE
SEQ
SEQ3
SQD
SQD3

Content
Alternate Molecular Formula
Alternate Registry Number
Component Class Identifier
Condensed Chemical Name
Substance Class Identifier
Component Isotope at Unknown Location
Component Molecular Formula
Chemical Name
Composition
Component Registry Number
Definition
Deleted CAS Registry Number
Entry Date
Editor Note
Full Chemical Name
File Segment
Isotope at Unknown Location
CA Index Name
Registry Number Locator
Molecular Formula
Polymer Class Term
Preferred Registry Number
Number of references in CA, CAplus
CAS Registry Number
Replacing CAS Registry Number
Ring System Data
Short Chemical Name
Source of Registration
Short Ring System Data
Flat Structure (no stereo indicated)
Structure Diagram (includes stereo bonds and R/S/E/Z labels
when available)
Stereo Structure (includes stereo bonds when available)
Nucleic Acid
Note
Patent Annotation
Sequence (1-letter codes)
Sequence (3-letter codes)
RN, AR, PR, DR, RR, FS, SQL, NA, NTE, PNTE, SEQ
RN, AR, PR, DR, RR, FS, SQL, NA, NTE, PNTE, SEQ3

ExamplesD L4 1-4 AF
D L1 3 AR
D CCI 1,3-5
D 20 CCN
D 1-3,7,8 CI
D CIL
D L1 CMF 3
D CN
D L7
D 1,3,6 CRN L5
D DEF
D L8 DR 1-3
D ED
D ENTED FCN L3 7
D 1,4 FS
D IL
D IN L1 4
D LC 3,4
D MF
D L3 PCT
D 5,3 PR
D REF
D L4 RN 3
D L3 2 RR
D RSD
D 5-9 SCN
D SR 1,3 L12
D SRSDD L9 1 3
D L4 STR
D STS
D 6 9 11 NA
D NTE
D PNTE
D SEQ
D SEQ3 1-10
D 5 SQD
D 2-4 SQD3
February 2023

14
REGISTRY/ZREGISTRYDISPLAY and PRINT Formats (cont'd)Format (1)SQIDEContent

ExamplesD L4 SQIDE

SQL
SQN

RN, CN, DEF, AR, PR, DR, RR, FS, SQL, NA, NTE, PNTE, SEQ,
MF, AF, CI, PCT, SR, LC, IL, STR, REF
Same as SQIDE except that 3-letter codes are used for protein
sequences
Sequence Length
RN, CN, AR, PR, FS, SQL, DR, RR, REF

BCF
BP
DEN
ECND (7)ECON (7)
ERES (7)
EREST (7)
FP
FRB
HAC
HDAS
HD
HVAP
ISLB.MASS
ISLB.MOL
KOC
LD50 (7)LOGD
LOGP
MM (7)
MP
MVOL
MW
ORP
PKA
PRFA (FA) (9)PSA
RI
SLB.MASS
SLB.MOL
SPEC (10)SPEC.B11NMR (10)SPEC.C13NMR (10)SPEC.F19NMR (10)SPEC.H1NMR (10)SPEC.IR (10)SPEC.MASS (10)SPEC.N15NMR (10)SPEC.O17NMR (10)SPEC.P31NMR (10)SPEC.PROTONNMR (10)SPEC.RAMAN (10)SPEC.SI29NMR (10)TG (7)TS (7)
VP
DT.CA
RL
RL.NP
RL.P
RLD (RL.D)

Tabular display of Bioconcentration Factor
Tabular display of Boiling Point
Tabular Display of Density
Tabular display of Electric Conductivity
Tabular display of Electric Conductance
Tabular display of Electric Resistance
Tabular display of Electric Resistivity
Tabular display of Flash Point
Tabular display of Freely Rotatable Bonds
Tabular display of H Acceptors
Tabular display of H Donor/Acceptor Sum
Tabular display of H Donors
Tabular display of Enthalpy of Vaporization
Tabular display of Mass Intrinsic Solubility
Tabular display of Molar Intrinsic Solubility
Tabular display of Organic Carbon Adsorption
Tabular display of Median Lethal Dose
Tabular display of LogD
Tabular display of LogP
Tabular display of Magnetic Moment
Tabular display of Melting Point
Tabular display of Molar Volume
Tabular display of Molecular Weight
Tabular display of Optical Rotatory Power
Tabular display of pKa
Property fields available
Tabular display of Polar Surface Area
Tabular display of Refractive Index
Tabular display of Mass Solubility
Tabular display of Molar Solubility
SpectraBoron-11 NMR Spectra
Carbon-13 NMR Spectra
Fluorine-19 NMR Spectra
Proton NMR Spectra
IR Absorption Spectra
Mass Spectra
Nitrogen-15 NMR Spectra
Oxygen-17 NMR Spectra
Phosphorus-31 NMR Spectra
Proton NMR Spectra
Raman Spectra
Silicon-29 NMR Spectra
Tabular display of Glass Transition Temperature
Tabular display of Tensile Strength
Tabular display of Vapor Pressure
CAplus document typeCAplus super roles
CAplus super roles from non-patents
CAplus super roles from patents
CAplus super roles for non-specific derivatives

D IDE BCF 1-5
D BP 1-2
D DEN 1-2
D ECNDD ECOND ERESD ERESTD IDE FP 1-5
D IDE FRB 1-2
D HAC 1
D HDASD HD HAC
D IDE HVAP 1-5
D ISLB.MASS
D ISLB.MOL
D IDE KOC 1-5
D LD50D LOGD 2-5
D LOGP
D MM
D MP 1-2
D MVOL
D MW
D ORP
D PKA
D PRFAD PSA
D RI 1-2
D SLB.MASS
D SLB.MOL
D SPECD SPEC.B11NMR
D SPEC.C13NMR
D SPEC.F19NMR
D SPEC.H1NMR
D SPEC.IR
D SPEC.MASS
D SPEC.N15NMR
D SPEC.O17NMR
D SPEC.P31NMR
D SPEC.PROTONNMRD SPEC.RAMAN
D SPEC.SI29NMR
D TG
D TS
D IDE VP 1-5
D DT.CA
D RL
D RL.NP
D RL.PD RLD

SQIDE3February 2023

D L4 SQIDE3
D L3 SQLD SQN L5 6-9

15
CAS REGISTRYDISPLAY and PRINT Formats (cont'd)Format (1)Content

RLD. NP
RLD.P
RLS (RLS.NP, RLS.P)

CAplus super roles for non-specific derivatives from non-patents
CAplus super roles for non-specific derivatives from patents
CAplus super roles for the specific substance and its non-specificderivatives
All available substance information, CAplus super roles and document
types, property tables (EPROP, ETAG, PPROP), and BIB ABS IND
for the 10 most recent CA references
Tabular display of experimental property data
EPROP, ETAG
Tabular display of experimental property tags
(one line for each unique property)
Tabular display of all experimental property tags
All substance information including all names and RSD, CAplus superroles and document types, and all property tables (EPROP, ETAG,PPROP)
ALL, indented with text labels for CAplus data
Up to 50 names and other substance data except for RSD (IDE is thedefault)
IDE plus CAplus super roles and document types
All available substance information,
CAplus super roles and document types, property tables (EPROP,
SPEC, ETAGFULL, PPROP), and BIB ABS IND for the 10 mostrecent CA references
Tabular display of experimental property data with original document
units
Tabular display of predicted (calculated) property data
Tabular display of property data and tags (EPROP, ETAG, PPROP)
IDE and the rows of the table containing the hit property values or tags
CAS Registry Numbers (RN, DR, AR, PR, RR)
IN, SQL, MF, CI, STR, COMP
IN, SQL, MF, CI, STR, COMP (random display without answer
numbers)

D RLD.NP
D RLD.P
D RLS

Fields containing hit terms
Hit terms plus 20 words on either side (KeyWord in Context)

D HIT 5-10
D KWIC 5-10

ALL (10)EPROP
EPROPSETAGETAGFULL
FIDE

IALL (10)IDEIDERLMAX (10)OPROP
PPROP (CALC)PROP (APROPS) (10)
QRD
REG
SAM
SCAN (9,11)

HIT (12)KWIC (12)ExamplesDISPLAY L1 1 ALL

D EPROP 2-3
D EPROPSD ETAGD ETAGFULL
D FIDED IALLD IDE
D IDERL L10
D MAX

D OPROPD PPROP
D PROP
D QRD
D REG
D L3 1-18 SAM
D SCAN(1)

In addition to these substance field codes and formats, bibliographic information, except for FAN.CNT, FAN, FAM, and FBIB, for the 10
most recent documents that cite the substance in CA can be displayed if combined with at least one substance field, e.g., D RN TI AU.
The substance code or format must be given first. The bibliographic formats are found on the CA Database Summary Sheet.
(2) Names are displayed with CN code. This is a custom display only.
(3) This is a tabular display that lists composition information and Component Registry Numbers for alloys and tabular inorganic substances.
(4) This is a tabular display that lists EA, ES, SZ, RF, RID, and RID Occurrence Count.
(5) The CA Index Name and all OTHER NAMES are displayed with CN code. This is a custom display only.
(6) This is a tabular display that lists EA, RID, and RID Occurrence Count.
(7) Custom display format.
(8) Stereo structure diagrams are available only on graphics terminals.
(9) No online display charge for this option.
(10) Spectral images are displayed with the SPEC format only in STN on the Web and via STN Express. They are available in prints sent only
as EMAIL.
(11) SCAN must be specified on the command line, i.e., D SCAN or DISPLAY SCAN.
(12) HIT and KWIC are available for all dictionary fields except MAC, RC, and CRN, and in all biosequence fields. KWIC is the same as HIT
for all fields except DEF and LC. The entire field containing hit terms is highlighted except for DEF and LC in which the individual terms
are highlighted. The entire RSD table is displayed without highlighting. For NTE, row(s) of the table containing the hit terms is displayed
without highlighting. For SEQ and SEQ3, the amino acid codes causing the hit to be highlighted by underlining and also by a statementof their position in the sequence.

February 2023

16
REGISTRY/ZREGISTRY

SELECT, ANALYZE, and SORT Fields
The SELECT command is used to create E-numbers or an L-number containing terms taken from the specified
field in an answer set.
The ANALYZE command is used to create an L-number containing terms taken from the specified field in ananswer set.
The SORT command is used to rearrange the search results in either alphabetic or numeric order of the specified
field(s).
FIELD NAME
Alternate Molecular Formula
Alternate Registry Number
CA Index Name
CAplus Document Type
CAplus super roles
CAplus super roles from non-patents
CAplus super roles from patents
CAplus super roles for non-specific derivatives
CAplus super roles for non-specific derivatives from non-patents
CAplus super roles for non-specific derivatives from patents
CAplus super roles for the substance and its non-specific derivatives
CAplus super roles for the substance and its non-specific derivatives
from non-patents
CAplus super roles for the substance and its non-specific derivatives
from patents
CAS Registry Number
Chemical NameClass Identifier
Component Class Identifier
Component Molecular Formula
Component Registry Number
Definition
Density
Deleted CAS Registry Number
Editor Note
Elemental Analysis for Ring System
Elemental Sequence for Ring System
Entry Date
Experimental Property Tags
Experimental Properties
File Segment
Freely Rotatable Bonds
Full Chemical Name
H Acceptors
H Donors
Melting Point
Molecular Formula
Molecular Weight
Names
Optical Rotatory Power
Nucleic Acid Sequence (exact search form)
Nucleic Acid Sequence (subsequence search form)
Patent Number
Polymer Class Term
Preferred Registry Number
Protein Sequence (exact family search form)
Protein Sequence (exact search form)
Protein Sequence (subsequence family search form)
Protein Sequence (subsequence search form)

February 2023

FIELD CODEANALYZE
SELECT (1)

AF
AR
IN
DT.CA
RL
RL.NP
RL.P
RLD
RLD.NP
RLD.P
RLS
RLS.NP

Y (2)
Y (3)
Y (4)
Y
Y
Y
Y
Y
Y
Y
Y
Y

N
N
Y
N
N
N
N
N
N
N
N
N

RLS.P

Y

N

RN
CN
CI
CCI
CMF
CRN
DEF
DEN
DR
ENTE
EA
ES
ED
ETAG (TAGS)
EPROP
FS
FRB
FCN
HAC
HD
MP
MF
MW
NAME
ORP
SQEN
SQSN
PN
PCT
PR
SQEFP
SQEP
SQSFP
SQSP

Y (3)
Y (5)
Y
Y (6)
Y (3)
Y
Y
N
Y (3)
Y
Y
Y
Y
Y
Y (7)
Y
N
Y (4)
N
N
N
Y
N
Y (8)
N
Y
Y
Y (9)
Y
Y (3)
Y
Y
Y
Y

Y
N
N
N
N
N
N
Y
N
N
N
N
Y
N
N
Y
Y
N
Y
Y
Y
N
Y
N
Y
N
N
N
N
N
N
N
N
N

SORT

17
CAS REGISTRY

SELECT, ANALYZE, and SORT Fields (cont'd)
FIELD CODEANALYZE
SELECT (1)

SORT

References
Reference Accession Number in CA
Refractive Index
Registry Number Locator
Registry Numbers and Names
Replacing CAS Registry Number
Ring Identifier

REF
RAN.CA
RI
LC
CHEM
RR
RID

N
Y
N
Y (10)Y (11) (default)
Y (5)
Y

Y
N
Y
N
N
N
N

Ring System Formula
Sequence (1-letter codes)
Sequence (3-letter codes)
Sequence Length
Short Chemical Names
Size for the Ring System
Source of Registration

RF
SEQ
SEQ3
SQL
SCN
SZ
SR

Y
Y (12)Y (12)
N
Y (4)
Y
Y

N
N
N
Y
N
N
N

FIELD NAME

(1)
(2)
(3)
(4)
(5)
(6)
(7)
(8)

HIT may be used to restrict terms extracted to terms that match the search expression used to create the answer set, e.g., SEL HIT CN.
/MF is appended to the terms created by SELECT.
/BI is appended to the terms created by SELECT.
/CN is appended to the terms created by SELECT.
CA Index Name, first 50 names in alphabetical order, and any additional hit names are extracted.
/CI is appended to the terms created by SELECT.
/FA is appended to the terms created by SELECT.
All names except inverted names are extracted and /BI is appended to the terms created by SELECT. For nucleic acids from the
GenBank database, NAME extracts GenBank Locus ID and GenBank numbers. GenBank numbers may be used as search terms in the
GenBank database or other STN databases such as MEDLINE.
(9) Extracts patent number from the Patent Annotation (PNTE) field.
(10) E-numbers containing the files listed in this field may be used in the FILE and INDEX commands in place of the file names.
(11) AR, DR, PR, RN, RR, and all names except inverted names are extracted and /BI is appended to the terms created by SELECT.
(12) /SQSP is appended to the terms created by SELECT.

February 2023

18
REGISTRY/ZREGISTRY

Sample Records
DISPLAY IDE
RN
57-88-5 REGISTRYEDEntered STN: 16 Nov 1984
CN
Cholest-5-en-3-ol (3β)- (CA INDEX NAME)OTHER CA INDEX NAMES:
CN(3β)-Cholest-5-en-3-ol
CN
Cholesterol (8CI)
OTHER NAMES:
CN(-)-Cholesterol
CN∆5-Cholesten-3β-ol
CN
3β-Hydroxycholest-5-ene
CN
5:6-Cholesten-3β-ol
CN
Cholest-5-en-3β-ol
CN
Cholesterin
CN
Cholesteryl alcoholCN
DytholCN
LidinitCN
LidiniteCN
NSC 8798
CN
Provitamin D
CN
SyntheChol
FS
STEREOSEARCH
DR
80356-14-5, 80356-33-8, 209124-38-9, 218965-24-3, 262418-13-3,
378185-03-6, 676322-57-9, 732297-95-9, 793670-51-6, 849593-11-9,856708-55-9
MF
C27 H46 O
CI
COM
SR
CA
LC
STN Files:
ADISNEWS, ANABSTR, BIOSIS, BIOTECHNO, CA, CABA, CAPLUS,
CASREACT, CBNB, CHEMCATS, CHEMLIST, CIN, DDFU, DRUGU, IPA, MEDLINE,
MSDS-OHS, NAPRALERT, PIRA, REAXYSFILE*, RTECS*, TOXCENTER, USPAT2,
USPATFULL, USPATOLD, VETU(*File contains numerically searchable property data)
Other Sources:
DSL**, EINECS**, TSCA**(**Enter CHEMLIST File for up-to-date regulatory information)
Absolute stereochemistry.

**PROPERTY DATA AVAILABLE IN THE 'PROP' FORMAT**
238846 REFERENCES IN FILE CA (1907 TO DATE)
12209 REFERENCES TO NON-SPECIFIC DERIVATIVES IN FILE CA
243605 REFERENCES IN FILE CAPLUS (1907 TO DATE)

February 2023

19
CAS REGISTRYDISPLAY SQIDE (Protein Sequence Record)
RN
CN
FS
SQL

91386-77-5 REGISTRY
Interferon α1 (human leukocyte protein moiety reduced), 1-L-serine(9CI) (CA INDEX NAME)PROTEIN SEQUENCE
166

SEQ

1 SDLPETHSLD NRRTLMLLAQ MSRISPSSCL MDRHDFGFPQ EEFDGNQFQK
51 APAISVLHEL IQQIFNLFTT KDSSAAWDED LLDKFCTELY QQLNDLEACV
101 MQEERVGETP LMNADSILAV KKYFRRITLY LTEKKYSPCA WEVVRAEIMR
151 SLSLSTNLQE RLRRKE
MF
Unspecified
CI
MAN
LC
STN Files:
CA, CAPLUS
DT.CA CAplus document type: Conference
RL.NP Roles from non-patents: PREP (Preparation)
1 REFERENCES IN FILE CA (1907 TO DATE)
1 REFERENCES IN FILE CAPLUS (1907 TO DATE)DISPLAY SQIDE (Nucleic Acid Sequence Indexed by CAS)
RN
91449-61-5 REGISTRY
CN
DNA (Tikaut virus 5'-long terminal repeat) (9CI) (CA INDEX NAME)OTHER CA INDEX NAMES:
CN
Deoxyribonucleic acid (Tikaut provirus 5'-long terminal repeat)
FS
NUCLEIC ACID SEQUENCESQL 641
NA
186 a
170 c
160 g
125 t
NTE doublestranded
SEQ

1 tgaaagaccc caccataagg cttagcaagc tagctgcagt aacgccattt
51 tgcaaggcat gaaaaagtac cagagctgag ttctcaaagt caacaacgaa
101 gtttagttaa agaataaggc tgaacaaaac tgggacaggg gccaaacagg
151 atatctgtgg tcgagcagct agggccccgg ctcagggcca agaacagatg
201 gtactcagat aaagcgaagg gctgaacaaa acgggacagg ggccaaacag
251 gatgggggcc aaacaggata tctgtggtcg agcacctggg ccccggctca
301 gggccaagaa cagatggtac tcagataaag cgaaactaac aacagtttct
351 ggaaagtccc acctcagttt caagttcccc aaaagaccgg gaaaaacccc
401 aagccttatt taaactaacc aatcagctcg cttctcgctt ctgtaacccg
451 cgctttttgc tcccagccct ataaaaaggg taaaaacccc acactcggcg
501 ccccagtcct ccgatagact gagtcgcccg ggtacccgtg tatccaataa
551 agccttttgc tgttgcatcc gaatcgtggt ctcgctgatc cttgggaggg
601 tctcctcaga gtgattgact gcccagcctg ggggtctttc a
MF
Unspecified
CI
MAN
LC
STN Files:
CA, CAPLUS
DT.CA CAplus document type: Journal
RL.NP Roles from non-patents: BIOL (Biological study); PRP (Properties)
1 REFERENCES IN FILE CA (1907 TO DATE)
1 REFERENCES IN FILE CAPLUS (1907 TO DATE)DISPLAY SQIDE (Nucleic Acid Sequence Registered from GenBank®)
RN
CN
FS
SQL
NA

139065-61-5 REGISTRY
GenBank M12334 (9CI) (CA INDEX NAME)NUCLEIC ACID SEQUENCE
35
6 a
8 c
14 g
7 t

SEQ
MF
CI
SR
LC

1 ggaggctcat ttgcagttga ggccagcagg tcggc
C342 H428 N138 O209 P34
MANGenBank
STN Files:
GENBANK
February 2023

20
REGISTRY/ZREGISTRYDISPLAY FIDE
RN
ED
CN

110871-86-8 REGISTRYEntered STN: 24 Oct 1987
3-Quinolinecarboxylic acid, 5-amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethyl1-piperazinyl]-6,8-difluoro-1,4-dihydro-4-oxo-, rel- (CA INDEX NAME)OTHER CA INDEX NAMES:
CN
3-Quinolinecarboxylic acid, 5-amino-1-cyclopropyl-7-(3,5-dimethyl-1piperazinyl)-6,8-difluoro-1,4-dihydro-4-oxo-, cisCN
rel-5-Amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-6,8difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acidOTHER NAMES:CN
AT 4140
CN
CI 978CNCP 103826
CN
Parox
CN
PD 1315-1
CN
PD 131501
CN
Salocin 120
CN
Spara
CN
SparcinCN
Sparfloxacin
CN
Zagam
FS
STEREOSEARCHMF
C19 H22 F2 N4 O3
CI
COM
SR
CA
LC
STN Files:
ADISINSIGHT, ADISNEWS, BIOSIS, CA, CABA, CAPLUS, CASREACT,
CBNB, CHEMCATS, CHEMLIST, CIN, DDFU, DRUGU, EMBASE, IMSRESEARCH, IPA,MEDLINE, MSDS-OHS, PATDPASPC, PS, REAXYSFILE*, RTECS*, TOXCENTER,
USPAT2, USPATFULL(*File contains numerically searchable property data)
DT.CA CAplus document type: Book; Conference; Journal; Patent
RL.P
Roles from patents: ANST (Analytical study); BIOL (Biological study);
NANO (Nanomaterial); OCCU (Occurrence); PREP (Preparation); PROC
(Process); PRP (Properties); PRPH (Prophetic); RACT (Reactant orreagent); USES (Uses)
RLD.P Roles for non-specific derivatives from patents: ANST (Analytical
study); BIOL (Biological study); NANO (Nanomaterial); PREP
(Preparation); PROC (Process); USES (Uses)
RL.NP Roles from non-patents: ANST (Analytical study); BIOL (Biologicalstudy); FORM (Formation, nonpreparative); MSC (Miscellaneous); NANO
(Nanomaterial); OCCU (Occurrence); PREP (Preparation); PROC (Process);
PRP (Properties); RACT (Reactant or reagent); USES (Uses)
RLD.NP Roles for non-specific derivatives from non-patents: ANST (Analytical
study); BIOL (Biological study); FORM (Formation, nonpreparative); PREP
(Preparation); PRP (Properties); USES (Uses)
Ring System Data
Elemental|Elemental| Size of |Ring System|
Ring
|
RID
Analysis |Sequence |the Rings| Formula |Identifier|Occurrence
EA
|
ES
|
SZ
|
RF
|
RID
| Count=========+=========+=========+===========+==========+==========
C3
|C3
|3
|C3
|1.13.1|1
C4N2|NC2NC2|6|C4N2|46.383.1 |1
C5N-C6|NC5-C6|6-6|C9N|591.79.40 |1

Relative stereochemistry.

February 2023

21
CAS REGISTRY

Experimental Properties (EPROP)
PROPERTY (CODE) |VALUE|
CONDITION|
NOTE==================+=============+================+==========
Melting Point (MP)|266-269 deg C|Solv: chloroform|(1)IC|(decomp)|(67-66-3),|||ethanol|||(64-17-5)|
Melting Point (MP)|266-269 deg C||(2)
APC|(decomp)||
Melting Point (MP)|258-260 deg C||(3)
IC
Melting Point (MP)|250-253 deg C||(4)IC|(decomp)
|
|
(1)
(2)
(3)
(4)

Miyamoto, Teruyuki; Journal of Medicinal Chemistry 1990 V33(6) P1645-56
CAPLUS"Drugs - Synonyms and Properties" data were obtained from Ashgate
Publishing Co. (US) CAPLUS
Matsumoto, Junichi; EP 221463 A2 1987 CAPLUS
Petersen, Uwe; DE 3711193 A1 1988 CAPLUS

Experimental Property Tags (ETAG)PROPERTY| NOTE======================================================+=======
Acid/Base Dissociation Constant (Ka/Kb)|(1) CASADME (Absorption, Distribution, Metabolism, Excretion)|(2) CAS
9 more tags shown in the MAX or ETAGFULL formats |Emission/Luminescence Spectra|(3) CAS
Half-Life (Biological)|(4) CAS
6 more tags shown in the MAX or ETAGFULL formats |IR Absorption Spectra|(5) CAS
2 more tags shown in the MAX or ETAGFULL formats |Minimum Inhibitory Concentration|(5) CAS
34 more tags shown in the MAX or ETAGFULL formats |Potential of Electrode Reaction|(6) CAS
Proton NMR Spectra|(7) IC
1 more tag shown in the MAX or ETAGFULL formats |UV and Visible Absorption Spectra|(8) CAS
3 more tags shown in the MAX or ETAGFULL formats |UV and Visible Emission/Luminescence Spectra|(9) CAS
1 more tag shown in the MAX or ETAGFULL formats |
(1)
(2)
(3)
(4)
(5)

Llinas, Antonio; Journal of Chemical Information and Modeling 2008
V48(7) P1289-1303 CAPLUS
Kihira, Tetsunari; Journal of Infection and Chemotherapy 2004 V10(2)P97-100 CAPLUS
Wang, Jian; Science in China, Series B: Chemistry 2008 V51(1) P31-40
CAPLUS
Kudo, Masakiyo; Iryo Yakugaku 2004 V30(1) P8-12 CAPLUS
Efthimiadou, Eleni K.; Bioorganic & Medicinal Chemistry Letters 2008
V18(14) P4033-4037 CAPLUS
February 2023

22
REGISTRY/ZREGISTRY
(6)
(7)
(8)
(9)

Abdel Ghani, N. T.; Analytical Sciences 2007 V23(9) P1053-1058 CAPLUS
Miyamoto, Teruyuki; Journal of Medicinal Chemistry 1990 V33(6) P1645-56
CAPLUS
Salem, Maissa Yacoub; Chemical & Pharmaceutical Bulletin 2006 V54(12)P1625-1632 CAPLUS
Sun, Chun-Yan; Spectrochimica Acta, Part A: Molecular and Biomolecular
Spectroscopy 2011 V82(1) P375-382 CAPLUS

Predicted Properties (PPROP)
PROPERTY (CODE)
|
VALUE
|
CONDITION|NOTE=============================+=====================+================+====
Bioconc. Factor (BCF)|1.0|pH 1 25 deg C |(1)Bioconc. Factor (BCF)|1.0|pH 2 25 deg C |(1)Bioconc. Factor (BCF)|1.0|pH 3 25 deg C |(1)Bioconc. Factor (BCF)|1.0|pH 4 25 deg C |(1)Bioconc. Factor (BCF)|1.0|pH 5 25 deg C |(1)Bioconc. Factor (BCF)|1.0|pH 6 25 deg C |(1)Bioconc. Factor (BCF)|1.0|pH 7 25 deg C |(1)Bioconc. Factor (BCF)|1.0|pH 8 25 deg C |(1)Bioconc. Factor (BCF)|1.0|pH 9 25 deg C |(1)Bioconc. Factor (BCF)|1.0|pH 10 25 deg C |(1)Boiling Point (BP)|640.4+/-55.0 deg C|760 Torr|(1)
Density (DEN)|1.436+/-0.06 g/cm**3 |20 deg C|(1)||760 Torr|
Enthalpy of Vap. (HVAP)|99.36+/-3.0 kJ/mol|760 Torr|(1)
Flash Point (FP)|341.1+/-31.5 deg C||(1)Freely Rotatable Bonds (FRB) |4||(1)
H acceptors (HAC)
|7
|
|(1)
H donors (HD)
|4
|
|(1)
Hydrogen Donors/Acceptors Sum|11||(1)(HDAS)|||
Koc (KOC)|1.0|pH 1 25 deg C |(1)Koc (KOC)|1.0|pH 2 25 deg C |(1)Koc (KOC)|1.0|pH 3 25 deg C |(1)Koc (KOC)|1.0|pH 4 25 deg C |(1)Koc (KOC)|1.0|pH 5 25 deg C |(1)Koc (KOC)|3.32|pH 6 25 deg C |(1)Koc (KOC)|9.54|pH 7 25 deg C |(1)Koc (KOC)|9.26|pH 8 25 deg C |(1)Koc (KOC)|2.82|pH 9 25 deg C |(1)Koc (KOC)|1.0|pH 10 25 deg C |(1)LOGD (LOGD)|-0.51|pH 1 25 deg C |(1)LOGD (LOGD)|-0.50|pH 2 25 deg C |(1)LOGD (LOGD)|-0.50|pH 3 25 deg C |(1)LOGD (LOGD)|-0.47|pH 4 25 deg C |(1)LOGD (LOGD)|-0.27|pH 5 25 deg C |(1)LOGD (LOGD)|0.33|pH 6 25 deg C |(1)LOGD (LOGD)|0.79|pH 7 25 deg C |(1)LOGD (LOGD)|0.77|pH 8 25 deg C |(1)LOGD (LOGD)|0.26|pH 9 25 deg C |(1)LOGD (LOGD)|-0.54|pH 10 25 deg C |(1)
LOGP (LOGP)|2.598+/-1.429|25 deg C|(1)
Mass Intrinsic Solubility|0.0029 g/L|25 deg C|(1)(ISLB.MASS)|||
Mass Solubility (SLB.MASS)|3.8 g/L|pH 1 25 deg C |(1)Mass Solubility (SLB.MASS)|3.7 g/L|pH 2 25 deg C |(1)Mass Solubility (SLB.MASS)|3.6 g/L|pH 3 25 deg C |(1)Mass Solubility (SLB.MASS)|2.8 g/L|pH 4 25 deg C |(1)Mass Solubility (SLB.MASS)|0.86 g/L
|pH 5 25 deg C |(1)Mass Solubility (SLB.MASS)|0.14 g/L
|pH 6 25 deg C |(1)Mass Solubility (SLB.MASS)|0.043 g/L|pH 7 25 deg C |(1)Mass Solubility (SLB.MASS)|0.043 g/L|pH 8 25 deg C |(1)Mass Solubility (SLB.MASS)|0.15 g/L
|pH 9 25 deg C |(1)Mass Solubility (SLB.MASS)|1.1 g/L|pH 10 25 deg C |(1)Mass Solubility (SLB.MASS)|0.039 g/L|Unbuffered Water|(1)||pH 7.47|
February 2023

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CAS REGISTRY
Molar Intrinsic Solubility(ISLB.MOL)
Molar Solubility (SLB.MOL)
Molar Solubility (SLB.MOL)
Molar Solubility (SLB.MOL)
Molar Solubility (SLB.MOL)
Molar Solubility (SLB.MOL)
Molar Solubility (SLB.MOL)
Molar Solubility (SLB.MOL)
Molar Solubility (SLB.MOL)
Molar Solubility (SLB.MOL)
Molar Solubility (SLB.MOL)
Molar Solubility (SLB.MOL)

Molar Volume (MVOL)
Molecular Weight (MW)PKA (PKA)
PKA (PKA)
Polar Surface Area (PSA)
Vapor Pressure (VP)|
|25 deg C||0.0000075 mol/L|25 deg C
|(1)
|
|
|
|0.0097 mol/L|pH 1 25 deg C |(1)|0.0094 mol/L|pH 2 25 deg C |(1)|0.0091 mol/L|pH 3 25 deg C |(1)|0.0071 mol/L|pH 4 25 deg C |(1)|0.0022 mol/L|pH 5 25 deg C |(1)|0.00035 mol/L|pH 6 25 deg C |(1)|0.00011 mol/L|pH 7 25 deg C |(1)|0.00011 mol/L|pH 8 25 deg C |(1)|0.00038 mol/L|pH 9 25 deg C |(1)|0.0029 mol/L|pH 10 25 deg C |(1)|0.000099 mol/L|Unbuffered Water|(1)||pH 7.47|||25 deg C||273.2+/-3.0 cm**3/mol|20 deg C|(1)||760 Torr||392.40||(1)|6.42+/-0.50|Most Acidic|(1)||25 deg C||8.59+/-0.60|Most Basic|(1)||25 deg C||98.90 A**2||(1)
|2.83E-17 Torr
|25 deg C|(1)This substance may exist in multiple tautomeric forms. The predicted property
values in this table are calculated based upon the displayed form and may
therefore differ from experimental values based on the actual tautomeric ratio
at equilibrium.
(1)

Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02((C) 1994-2016 ACD/Labs)See HELP PROPERTIES for information about property data sources in REGISTRY.
3019 REFERENCES IN FILE CA (1907 TO DATE)
59 REFERENCES TO NON-SPECIFIC DERIVATIVES IN FILE CA
3050 REFERENCES IN FILE CAPLUS (1907 TO DATE)DISPLAY CCN
CNMethanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5cyclohexadien-1-ylidene]-N-methyl-, chloride (9CI) (CA INDEX NAME)OTHER CA INDEX NAMES:
CN
C.I. Basic Green 4 (8CI); Victoria Green WB (6CI)
OTHER NAMES:
CN
Acryl Brilliant Green B; ADC Malachite Green Crystals; Aizen
Malachite Green; Aizen Malachite Green Crystals; Aniline green;
Astra Malachite Green; Astra Malachite Green B; Astra Malachite
Green BXX; Atlantic Malachite Green; Basic Green 4; Basonyl Green
830; Benzal Green; Benzaldehyde green; Bronze Green Toner A 8002;
Burma Green B; C.I. 42000; Calcozine Green V; China Green;
Diabasic Malachite Green; Diamond Green B extra; Diamond Green BX;
Diamond Green P Extra; Green MX; Grenoble Green; Hidaco Malachite
Green Base; Hidaco Malachite Green LC; Hidaco Malachite Green SC;
Light Green N; Lincoln Green Toner B 15-2900; Malachite green;
Malachite Green A; Malachite Green AN; Malachite Green B;
Malachite green chloride; Malachite Green CP; Malachite Green
Crystals; Malachite Green Crystals BPC; Malachite Green J 3E;
Malachite Green Powder; Malachite Green WS; Malachite Lake Green
A; Mitsui Malachite Green; New Victoria Green Extra I; New
Victoria Green Extra II; New Victoria Green Extra O; Oji Malachite
Green; Solid Green Crystals O; Solid Green O; Super Ick Cure;
February 2023

24
REGISTRY/ZREGISTRY
Tertrophene Green M; Tokyo Aniline Malachite Green; Verona Basic
Green M; Victoria Green; Victoria Green (basic dye); Victoria
Green B; Victoria Green S; Victoria Green WPBDISPLAY SPECL6

ANSWER 1 OF 93225

REGISTRYCOPYRIGHT 2016 ACS on STN

IR Absorption Spectra

Spectrum ID:
Spectrometer:
Source:BR097176
BIO-RAD DIGILAB FT-IR OR EQUIVALENTInfrared spectral data from the Bio-Rad/Sadtler IR Data
Collection was obtained from Bio-Rad Laboratories,
Philadelphia, PA (US). Copyright (C) Bio-Rad
Laboratories. All Rights Reserved.

COPYRIGHT 2016 ACS on STN
Carbon-13 NMR Spectra

Spectrum ID:
Solvent:
Standard:
Spectrometer:
Source:February 2023

NC_14175
chloroform-d (865-49-6)
tetramethylsilane
VARIAN CFT-20
Copyright Bio-Rad Laboratories. All Rights Reserved.

25
CAS REGISTRYIn North America

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February 2023