Compound: dibucaine
SMILES: O=C(NCCN(CC)CC)c1c2c(nc(c1)OCCCC)cccc2
InChIKey: PUFQVTATUTYEAL-UHFFFAOYSA-N
Synonyms: dibucaine, Cinchocaine, 85-79-0, Nupercainal, Dermacaine, Dibucaine Base, Dibucain, 2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide, Cinchocainum, Cincocaina, Cincocainio, Dibucaine [USP], 2-Butoxyquinoline-4-carboxylic acid diethylaminoethylamide, 2-butoxy-N-(2-(diethylamino)ethyl)quinoline-4-carboxamide, Dibucaine (USP), 2-Butoxy-N-(2-(diethylamino)ethyl)cinchoninamide, 2-Butoxy-N-(beta-diethylaminoethyl)cinchoninamide, 2-N-Butoxy-N-(2-diethylaminoethyl)cinchoninamide, N-(2-(Diethylamino)ethyl)-2-butoxycinchoninamide, alpha-Butyloxycinchoninic acid diethylethylenediamide, alpha-Butyloxycinchonic acid-gamma-diethylethylenediamine, DTXSID3045271, 2-Butoxy-N-[2-(diethylamino)ethyl]-4-quinolinecarboxamide, L6JW2TJG99, NSC-159055, 4-Quinolinecarboxamide, 2-butoxy-N-[2-(diethylamino)ethyl]-, 2-Butoxy-N-[2-(diethylamino)ethyl]cinchoninamide, 4-Quinolinecarboxamide, 2-butoxy-N-(2-(diethylamino)ethyl)-, 2-butoxy-N-(alpha-diethylaminoethyl)cinchoninamide, 2-Butoxy-quinoline-4-carboxylic acid (2-diethylamino-ethyl)-amide, Cinchoninamide, 2-butoxy-N-(2-(diethylamino)ethyl)-, DTXCID1025271, CHEBI:247956, N-[2-(Diethylamino)ethyl]-2-butoxycinchoninamide, NSC159055, Cinchoninamide, 2-butoxy-N-[2-(diethylamino)ethyl]-, 2-BUTOXY-N-(2-(DIETHYLAMINO)ETHYL)-4-QUINOLINECARBOXAMIDE, 2-butoxy-N-(2-(diethylamino)ethyl)quinoline-4-carboximidic acid, 2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboximidic acid, Dibucaine 1%, RefChem:58586, C05AD04, D04AB02, N01BB06, S01HA06, S02DA04, sovcainum (for the hydrochloride), Cvs Hemorrhoidal Topical Analgesic, Dibucaine Topical Anesthetic 1% Hemorrhoidal, 201-632-1, Nupercaine, Sovcaine, Percamine, Cinchocaine (INN), Cinchocaine [INN], NSC 159055, MFCD00047595, MLS000028425, Dibucainum, Cincainum, Cincaine chloride, CAS-85-79-0, Nupercainal (VAN), Cincocaina [DCIT], NCGC00016338-01, Cincain, SMR000058391, Cinchocainum [INN-Latin], Cincocainio [INN-Spanish], 2-Butoxy-N-(.beta.-diethylaminoethyl)cinchoninamide, .alpha.-Butyloxycinchoninic acid diethylethylenediamide, Nupercaine (TN), HSDB 3312, EINECS 201-632-1, UNII-L6JW2TJG99, BRN 0275489, SR-01000003037, Prestwick_164, Cinchocaine - USP, Dibucaine (Standard), Cinchocaine; Dibucaine, Spectrum_000928, Opera_ID_192, DIBUCAINE [MI], DIBUCAINE [HSDB], Prestwick0_000076, Prestwick1_000076, Prestwick2_000076, Prestwick3_000076, Spectrum2_001001, Spectrum3_000384, Spectrum4_000505, Spectrum5_000865, DIBUCAINE [VANDF], 2-butoxy-N-(2-diethylaminoethyl)cinchoninamide, CHEMBL1086, CINCHOCAINE [MART.], SCHEMBL34473, BSPBio_000291, BSPBio_002167, CINCHOCAINE [WHO-DD], KBioGR_001049, KBioSS_001408, 4-22-00-02284 (Beilstein Handbook Reference), MLS001148085, DivK1c_000332, SPBio_001121, SPBio_002212, BPBio1_000321, cid_521951, GTPL7159, orb1310687, DIBUCAINE [USP IMPURITY], SCHEMBL29810833, BDBM48532, HY-B0552R, KBio1_000332, KBio2_001408, KBio2_003976, KBio2_006544, KBio3_001387, DIBUCAINE [USP MONOGRAPH], NINDS_000332, HMS1568O13, HMS2095O13, HMS2233F03, HMS3370I12, HMS3712O13, HMS3886I10, HMS5084J14, HY-B0552, MSK10140, Tox21_110381, EBC-26667, s5534, STL483757, AKOS015897110, Tox21_110381_1, AC-2093, CCG-220076, DB00527, FC33247, IDI1_000332, NCGC00016338-02, NCGC00016338-03, NCGC00016338-04, NCGC00016338-05, NCGC00016338-06, NCGC00016338-07, NCGC00016338-10, WLN: T66 BNJ CO4 EVM2N2&2, AS-17426, SY107339, SBI-0051340.P003, DB-056882, AB00053453, NS00010344, ST51037211, C07879, D00733, AB00053453_24, AB00053453_25, EN300-18536764, F462730, Q417603, SR-01000003037-6, BRD-K99121711-001-03-5, BRD-K99121711-003-02-3, BRD-K99121711-003-12-2, BRD-K99121711-003-19-7, BRD-K99121711-003-20-5, quinoline, 2-butoxy-4-(2-diethylaminoethylcarbamoyl)-, N-[2-(diethylamino)ethyl](2-butoxy(4-quinolyl))carboxamide, 2-Butoxy-N-[2-(diethylamino)ethyl]-4-quinolinecarboxamide #, 2-butoxy-N-[2-(diethylamino)ethyl]cinchoninamide;hydrochloride, 4-QUINOLINECARBOXAMIDE, 2-BUTOXY-N-(2-(DIETHYLAMINO)ETHYL), 2-butoxy-N-[2-(diethylamino)ethyl]-4-quinolinecarboxamide;hydrochloride, 2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide;hydrochloride, QUINOLINE,2-BUTOXY,4-CARBOXY,(N-TRIETHYLAMINO) AMIDE   CINCHOCAIN, InChI=1/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24
Theoretical properties:
molecular_formula: C20H29N3O2
molecular_weight: 343.5 g/mol
exact_mass: 343.22597718 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 10
heavy_atom_count: 25
topological_polar_surface_area: 54.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless or almost colorless powder
color: Colorless or almost colorless powder
odor: Odorless
melting_point: 99-101 °C (HCl salt)
Descriptions:
pubchem: Cinchocaine is a monocarboxylic acid amide that is the 2-(diethylamino)ethyl amide of 2-butoxyquinoline-4-carboxylic acid. One of the most potent and toxic of the long-acting local anesthetics, its parenteral use was restricted to spinal anesthesia. It is now generally only used (usually as the hydrochloride) in creams and ointments and in suppositories for temporary relief of pain and itching associated with skin and anorectal conditions. It has a role as a topical anaesthetic. It is a monocarboxylic acid amide, an aromatic ether and a tertiary amino compound.
chebi: A monocarboxylic acid amide that is the 2-(diethylamino)ethyl amide of 2-butoxyquinoline-4-carboxylic acid. One of the most potent and toxic of the long-acting local anesthetics, its parenteral use was restricted to spinal anesthesia. It is now generally only used (usually as the hydrochloride) in creams and ointments and in suppositories for temporary relief of pain and itching associated with skin and anorectal conditions.
chembl: DIBUCAINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Cinchocaine (INN/BAN) or dibucaine (USAN) is an amide local anesthetic. Among the most potent and toxic of the long-acting local anesthetics, current use of cinchocaine is generally restricted to spinal and topical anesthesia. It is sold under the brand names Cincain, Nupercainal, Nupercaine and Sovcaine.