JAZL/ChemGist-CHON huggingface dataset:
SMILES: OCC=C1[C@@H]2C3=CN4c5c(cccc5)[C@]67[C@@H]4C(C8/C(=C\CO)/C[N+]([C@H]6C8)(C)CC7)=CN9[C@@H]3[C@]%10(c%11ccccc9%11)[C@H](C2)[N+](C1)(CC%10)C
InChIKey: IIYHWTVUYIYKKG-IICLRGLFSA-N
Theoretical properties:
Physical properties:
Descriptions:
Compound: Delphinine
SMILES: O=C(O[C@H]1[C@@]2(O)[C@@H](OC)C[C@]3([C@@H]1[C@H]([C@]45[C@@H](OC)CC[C@@]6([C@H]4[C@H]([C@H]3C5N(C6)C)OC)COC)C2)OC(=O)C)c7ccccc7
InChIKey: REVYTWNGZDPRKE-UWZYQZSNSA-N
Synonyms: Delphinine, 561-07-9, CHEBI:4384, SCHEMBL1801657, [(1S,2R,3R,4R,5S,6S,8R,9R,13S,16S,17R,18R)-8-Acetyloxy-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate, NS00043291, C08677, Q416921
Theoretical properties:
molecular_formula: C33H45NO9
molecular_weight: 599.7 g/mol
exact_mass: 599.30943201 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 10
rotatable_bond_count: 10
heavy_atom_count: 43
topological_polar_surface_area: 113 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Delphinine is a diterpenoid.
wikipedia: Delphinine is a toxic diterpenoid alkaloid found in plants from the Delphinium (larkspur) and Atragene (a clematis) genera, both in the family Ranunculaceae. Delphinine is the principal alkaloid found in Delphinium staphisagria seeds – at one time, under the name stavesacre, a very well known herbal treatment for body lice. It is related in structure and has similar effects to aconitine, acting as an allosteric modulator of voltage gated sodium channels, and producing low blood pressure, slowed heart rate and abnormal heart rhythms. These effects make it highly poisonous (LD50 1.5–3.0 mg/kg in rabbit and dog; frogs are ~10x more susceptible). While it has been used in some alternative medicines (e.g. in herbal medicine), most of the medical community does not recommend using it due to its extreme toxicity.
Compound: Horsfiline
SMILES: O=C1Nc2ccc(cc2[C@]13CN(C)CC3)OC
InChIKey: RVOLLKGLJIUGLG-ZDUSSCGKSA-N
Synonyms: Horsfiline, (-)-Horsfiline, Horsfiline, (-)-, 8Y5HUZ2HBF, DTXSID40453071, RefChem:923067, DTXCID00403890, 136247-72-8, UNII-8Y5HUZ2HBF, (3R)-5-Methoxy-1'-methylspiro(3H-indole-3,3'-pyrrolidin)-2(1H)-one, Spiro(3H-indole-3,3'-pyrrolidin)-2(1H)-one, 5-methoxy-1'-methyl-, (R)-, 1'-Methyl-5-methoxyspiro[indoline-3,3'-pyrrolidine]-2-one, SCHEMBL29541573, Q1276315, (3R)-5-Methoxy-1'-methylspiro[indole-3,3'-pyrrolidin]-2(1H)-one, (3R)-5-Methoxy-1'-methylspiro[3H-indole-3,3'-pyrrolidin]-2(1H)-one; (R)- 5-methoxy-1'-methylspiro[3H-indole-3,3'-pyrrolidin]-2(1H)-one;
Theoretical properties:
molecular_formula: C13H16N2O2
molecular_weight: 232.28 g/mol
exact_mass: 232.121177757 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 1
heavy_atom_count: 17
topological_polar_surface_area: 41.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
wikipedia: Horsfiline is an oxindole alkaloid found in the plant Horsfieldia superba, which is used in traditional herbal medicine. It has analgesic effects and has been the subject of research both to produce it synthetically by convenient routes and to develop analogues and derivatives which may have improved analgesic effects.
It is a member of the spiroindolone class.  Elacomine has a similar chemical structure.
Compound: Azamethonium
SMILES: [N+](CCN(CC[N+](CC)(C)C)C)(CC)(C)C
InChIKey: NHWGPUVJQFTOQX-UHFFFAOYSA-N
Synonyms: Azamethonium, Azamethonum, Azamethonium ion, Azamethonium cation, UNII-43XK6AW58D, 43XK6AW58D, ethyl-[2-[2-[ethyl(dimethyl)azaniumyl]ethyl-methylamino]ethyl]-dimethylazanium, Ethanaminium, 2,2'-(methylimino)bis(N-ethyl-N,N-dimethyl-, AZAMETHONIUM [WHO-DD], SCHEMBL221695, CHEMBL1180418, DTXSID30861863, Q7165028, ((METHYLIMINO)DIETHYLENE)BIS(ETHYLDIMETHYLAMMONIUM), N,N'-[(Methylazanediyl)di(ethane-2,1-diyl)]bis(N,N-dimethylethan-1-aminium)
Theoretical properties:
molecular_formula: C13H33N3+2
molecular_weight: 231.42 g/mol
exact_mass: 231.267448065 g/mol
formal_charge: 2
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 8
heavy_atom_count: 16
topological_polar_surface_area: 3.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: AZAMETHONIUM is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: This multi-page article lists pharmaceutical drugs alphabetically by name. Many drugs have more than one name and, therefore, the same drug may be listed more than once. Brand names and  generic names are differentiated by capitalizing brand names.
See also the list of the top 100 bestselling branded drugs, ranked by sales.
Abbreviations are used in the list as follows:

INN = International nonproprietary name
BAN = British Approved Name
USAN = United States Adopted Name
Two-letter codes for countries

Lists of drugs
1–9 |
A | B |
C | D |
E | F |
G | H |
I | J |
K | L |
M | N |
O | P |
Q | R |
S | T |
U | V |
W | X |
Y | Z  

Aa–Ab | Ac | Ad–Ak | Al | Am | An–Ap | Aq–Ar | As–Az
Compound: piperidolate
SMILES: O=C(OC1CN(CCC1)CC)C(c2ccccc2)c3ccccc3
InChIKey: KTHVBAZBLKXIHZ-UHFFFAOYSA-N
Synonyms: piperidolate, 82-98-4, 1-Ethylpiperidin-3-yl 2,2-diphenylacetate, Piperidolato, 1-Ethyl-3-piperidyl diphenylacetate, Piperidolatum, N-Ethyl-3-piperidyl diphenylacetate, JB-305, 3-Piperidinol, 1-ethyl-, diphenylacetate (ester), RJO31255V9, ACETIC ACID, DIPHENYL-, 1-ETHYL-3-PIPERIDYL ESTER, 1087-A.N., DTXSID7048164, RefChem:174446, DTXCID2027834, A03AA30, 201-449-7, JB 305, (1-ethylpiperidin-3-yl) 2,2-diphenylacetate, Diphenylacetic acid, 1-ethyl-3-piperidyl ester, 1087 A.N., MFCD00242588, Piperidolate (INN), (1-ethyl-3-piperidyl) 2,2-diphenylacetate, Benzeneacetic acid, .alpha.-phenyl-, 1-ethyl-3-piperidinyl ester, PIPERIDOLATE [INN], Piperidolate [INN:BAN], Piperidolatum [INN-Latin], Piperidolato [INN-Spanish], AN 1087, EINECS 201-449-7, BRN 0031110, Piperidolate?, UNII-RJO31255V9, Spectrum_001383, Piperidolate (Standard), Benzeneacetic acid, alpha-phenyl-, 1-ethyl-3-piperidinyl ester, Prestwick0_001055, Prestwick1_001055, Prestwick2_001055, Prestwick3_001055, Spectrum2_001073, Spectrum3_001524, Spectrum4_000737, Spectrum5_001067, PIPERIDOLATE [MI], BSPBio_001010, BSPBio_002908, KBioGR_001034, KBioSS_001863, DivK1c_000112, PIPERIDOLATE [WHO-DD], SCHEMBL249131, SPBio_001086, SPBio_002935, BPBio1_001112, HY-B0962AR, orb1299850, CHEMBL1623992, BDBM82378, CHEBI:91986, HY-B0962A, KBio1_000112, KBio2_001863, KBio2_004431, KBio2_006999, KBio3_002408, NINDS_000112, AAA08298, EX-A3194, NSC_4839, 1-ethylpiperidin-3-yl diphenylacetate, AKOS016013077, CS-4447, DB13351, CAS_82-98-4, IDI1_000112, 1-Ethyl-3-piperidinyl diphenylacetate #, NCGC00178395-01, NCGC00178395-02, 3-Piperidinol, 1-ethyl-, diphenylacetate, AC-35671, MS-24807, SBI-0051738.P002, AB00053633, NS00001521, D08382, AB00053633_07, L001277, Q7197354, BRD-A97479839-003-05-9, BRD-A97479839-003-08-3, BRD-A97479839-003-13-3, 2,2-diphenylacetic acid (1-ethyl-3-piperidinyl) ester, Benzeneacetic acid,.alpha.-phenyl-, 1-ethyl-3-piperidinyl ester
Theoretical properties:
molecular_formula: C21H25NO2
molecular_weight: 323.4 g/mol
exact_mass: 323.188529040 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 6
heavy_atom_count: 24
topological_polar_surface_area: 29.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 2,2-diphenylacetic acid (1-ethyl-3-piperidinyl) ester is a diarylmethane.
chembl: PIPERIDOLATE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Piperidolate is a pharmaceutical drug used to treat the symptoms of gastrointestinal disorders including gastric and duodenal ulcers, gastritis, enteritis, gallstones, cholecystitis, and biliary dyskinesia.  It acts as an antimuscarinic agent.  It was first approved in 1954 and is no longer marketed in the United States.
Compound: [1-(dimethylamino)-2-methylpropan-2-yl] 2-hydroxy-2,2-diphenylacetate
SMILES: O=C(OC(CN(C)C)(C)C)C(O)(c1ccccc1)c2ccccc2
InChIKey: WJIZVQNUJVMJAZ-UHFFFAOYSA-N
Synonyms: [1-(dimethylamino)-2-methylpropan-2-yl] 2-hydroxy-2,2-diphenylacetate, SCHEMBL24130, CHEMBL3304486, CHEBI:135397
Theoretical properties:
molecular_formula: C20H25NO3
molecular_weight: 327.4 g/mol
exact_mass: 327.18344366 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 7
heavy_atom_count: 24
topological_polar_surface_area: 49.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Difemerine is a diarylmethane.
chembl: DIFEMERINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
Compound: Dihexyverine
SMILES: O=C(OCCN1CCCCC1)C2(C3CCCCC3)CCCCC2
InChIKey: MNSQDVCVWNXBFQ-UHFFFAOYSA-N
Synonyms: Dihexyverine, Dihexiverine, Dihexiverina, Metaspas, Spasmolevel, Dihexyverine [INN], 561-77-3, Dihexyverinum, Dihexyverinum [INN-Latin], Dihexiverina [INN-Spanish], UNII-J2FQ66RU9W, J2FQ66RU9W, 2-Piperidinoethyl ester of bicyclohexyl-1-carboxylic acid, BRN 0247822, Dihexyverine (INN), DIHEXYVERINE [MI], DIHEXYVERINE [WHO-DD], 2-Piperidinoethyl bicyclohexan-1-carboxylat, DTXSID80204645, 4-20-00-00409 (Beilstein Handbook Reference), 2-Piperidinoethyl bicyclohexan-1-carboxylat [IUPAC], (Bicyclohexyl)-1-carboxylic acid, 2-piperidinoethyl ester, 2-(piperidin-1-yl)ethyl [1,1'-bi(cyclohexane)]-1-carboxylate, Dihexyverinum (INN-Latin), Dihexiverina (INN-Spanish), (1,1'-BICYCLOHEXYL)-1-CARBOXYLIC ACID, 2-(1-PIPERIDINYL)ETHYL ESTER, 2-Piperidinoethyl bicyclohexan-1-carboxylat (IUPAC), diesiverina, 2-(piperidin-1-yl)ethyl (1,1'-bi(cyclohexane))-1-carboxylate, RefChem:133677, A03AA08, DTXCID10127136, MNSQDVCVWNXBFQ-UHFFFAOYSA-N, 2-piperidin-1-ylethyl 1-cyclohexylcyclohexane-1-carboxylate, dihexyverin, SCHEMBL249843, CHEMBL2110912, CHEBI:135367, DB13678, NS00114017, D07821, Q5276403, Dihexyverine, Dihexiverine, Spasmolevel, Metaspas, Dihexyverinum, Dihexiverina, Spasmalex, Spasmodex, Dihexyverine (INN), Dihexyverine [INN], Dihexyverinum [INN-Latin], Dihexiverina [INN-Spanish], NIOSH/GU8472500, C20H35NO2, MolPort-003-846-719, CID21788, BRN 0247822, JL 1078, LS-43732, 2-Piperidinoethyl ester of bicyclohexyl-1-carboxylic acid
Theoretical properties:
molecular_formula: C20H35NO2
molecular_weight: 321.5 g/mol
exact_mass: 321.266779359 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 6
heavy_atom_count: 23
topological_polar_surface_area: 29.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Dihexyverine is a member of piperidines.
chembl: DIHEXYVERINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Dihexyverine is an anticholinergic spasmolytic. It is not approved for use in the United States but is sold in France under the trade name Spasmodex.
Compound: Camylofine
SMILES: O=C(OCCC(C)C)C(NCCN(CC)CC)c1ccccc1
InChIKey: RYOOHIUJEJZCFT-UHFFFAOYSA-N
Synonyms: Camylofine, Camylofin, 54-30-8, Acamylophenine, Camilofina, Camylofinum, Anafortan, 3-methylbutyl 2-[2-(diethylamino)ethylamino]-2-phenylacetate, DTXSID7046415, 340B6Q764V, DTXCID5026415, N-(2-(Diethylamino)ethyl)phenylglycine isopentyl ester, 3-methylbutyl 2-(2-(diethylamino)ethylamino)-2-phenylacetate, RefChem:123170, A03AA03, 200-202-0, Avapyrazone, Camylofin free base, Navadyl, Novospasmin, Sintespasmil, Belosin, Spasmocan, Adopon, Avadyl, Avocan, Camylofin (INN), NCGC00164526-01, NCGC00164526-02, Camylopin, N-(2-(Diethylamino)ethyl)-2-phenylglycine, isopentyl ester, CAMYLOFIN [INN], 3-Methylbutyl {[2-(diethylamino)ethyl]amino}(phenyl)acetate, Camylofin [INN:DCF], Camylofine [INN-French], Camylofinum [INN-Latin], Camilofina [INN-Spanish], CAS-54-30-8, EINECS 200-202-0, BRN 2816984, UNII-340B6Q764V, Acamylophenine HCl, Anafortan (TN), B-Diethylaminoethylaminophenylacetic acid isoamyl ester, N-(2-Diethylaminoethyl)-2-phenylglycine isopentyl ester, Isoamyl N-(beta-diethylaminoethyl)-alpha-aminophenylacetate, Phenyldiethylaminoethyl-1'-aminoacetic acid, isopentyl ester, CAMYLOFINE [MI], alpha-(N,beta-Diethylaminoethyl)aminophenylacetic acid isoamyl ester, Isopentyl alcohol, ester with N-(2-(diethylamino)ethyl)-2-phenylglycine, Benzeneacetic acid, alpha-(2-(diethylaminoethyl)amino)-, 3-methylbutyl ester, CAMYLOFIN [WHO-DD], 4-14-00-01336 (Beilstein Handbook Reference), SCHEMBL617472, CHEMBL253592, orb1710719, CHEBI:95216, 3-methylbutyl 2-{[2-(diethylamino)ethyl]amino}-2-phenylacetate, HY-B1230, Tox21 112157, Tox21_112157, BDBM50237286, GLYCINE, N-(2-(DIETHYLAMINO)ETHYL)-2-PHENYL-, ISOPENTYL ESTER, MFCD00048533, AKOS024386253, Tox21_112157_1, CS-4877, DB13738, DA-51563, SBI-0207043.P001, NS00004488, ST51037187, D07076, AB01563237_01, AB01563237_02, Q4725854, BRD-A91733352-300-03-7, BRD-A91733352-300-04-5, BRD-A91733352-300-05-2, isopentyl 2-[2-(diethylamino)ethylamino]-2-phenyl-acetate, 3-methyl butyl 2-(2-diethyl amino ethyl amino)-2-phenyl acetate, 2-[2-(diethylamino)ethylamino]-2-phenylacetic acid 3-methylbutyl ester
Theoretical properties:
molecular_formula: C19H32N2O2
molecular_weight: 320.5 g/mol
exact_mass: 320.246378268 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 12
heavy_atom_count: 23
topological_polar_surface_area: 41.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 2-[2-(diethylamino)ethylamino]-2-phenylacetic acid 3-methylbutyl ester is an alpha-amino acid ester.
chembl: CAMYLOFIN is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
Compound: TAN-67
SMILES: Oc1cc(ccc1)[C@@]23[C@H](CN(C)CC2)Cc4cc5ccccc5nc4C3
InChIKey: LEPBHAAYNPPRRA-WMZHIEFXSA-N
Synonyms: TAN-67, UY7TB22PB7, SB-205607, SB205607, TAN 67, DTXSID201018434, RefChem:932549, DTXCID301476576, 148545-09-9, CHEMBL327745, 3-[(4aS,12aR)-2-methyl-1,3,4,5,12,12a-hexahydropyrido[3,4-b]acridin-4a-yl]phenol, SB-213698, (3-HYDROXYPHENYL)-1,2,3,4,4A,5,12,12AA-OCTAHYDROQUINOLINO[2,3,3-G]ISOQUINOLINE DIHYDROBROMIDE, (-)-TAN-67, GTPL9567, orb1704096, SCHEMBL12013211, SCHEMBL29457713, CHEBI:124990, GLXC-04229, (-)TAN-67, BDBM50290872, AKOS040745351, 2-methyl-4aalpha-(3-hydroxyphenyl)-1,2,3,4,4a,5,12,12aalpha-octahydro-quinolino(2,3-g)isoquinoline, CS-0021143, SB-205,607, C20168, Q27215323, 3-((4aS,12aR)-2-Methyl-1,3,4,5,12,12a-hexahydro-2H-2,6-diaza-naphthacen-4a-yl)-phenol, (-)-rel-3-((4aR,12aS)-2-methyl-1,2,3,4,4a,5,12,12a-octahydropyrido[3,4-b]acridin-4a-yl)phenol, PHENOL, 3-((4AR,12AS)-1,3,4,5,12,12A-HEXAHYDRO-2-METHYLPYRIDO(3,4-B)ACRIDIN-4A(2H)-YL)-, REL-, PHENOL, 3-(1,3,4,5,12,12A-HEXAHYDRO-2-METHYLPYRIDO(3,4-B)ACRIDIN-4A(2H)-YL)-, TRANS-, REL-(4AS,12AR)-4A-(3-HYDROXYPHENYL)-2-METHYL-1,2,3,4,4A,5,12,12A-OCTAHYDROPYRIDO(3,4-B)ACRIDINE, REL-3-((4AR,12AS)-1,3,4,5,12,12A-HEXAHYDRO-2-METHYLPYRIDO(3,4-B)ACRIDIN-4A(2H)-YL)PHENOL
Theoretical properties:
molecular_formula: C23H24N2O
molecular_weight: 344.4 g/mol
exact_mass: 344.188863393 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 1
heavy_atom_count: 26
topological_polar_surface_area: 36.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 3-[(4aS,12aR)-2-methyl-1,3,4,5,12,12a-hexahydropyrido[3,4-b]acridin-4a-yl]phenol is a member of quinolines.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: TAN-67 (SB-205,607) is an opioid drug used in scientific research that acts as a potent and selective δ-opioid agonist, selective for the δ1 subtype. It has analgesic properties and induces dopamine release in nucleus accumbens. It also protects both heart and brain tissue from hypoxic tissue damage through multiple mechanisms involving among others an interaction between δ receptors and mitochondrial K(ATP) channels.
Compound: Nonabine
SMILES: O1c2c(C(c3ccncc3)=CC1(C)C)c(O)cc(c2)C(C(CCCCC)C)C
InChIKey: YHUDSHIRWOVVCV-UHFFFAOYSA-N
Synonyms: Nonabine, 16985-03-8, Nonabinum, BRL-4664, nonabina, 2,2-dimethyl-7-(3-methyloctan-2-yl)-4-pyridin-4-ylchromen-5-ol, 77DUK856J7, 7-(1,2-dimethylheptyl)-2,2-dimethyl-4-(4-pyridinyl)-2H-1-benzopyran-5-ol, RefChem:166409, BRL 4664, 2H-1-Benzopyran-5-ol, 7-(1,2-dimethylheptyl)-2,2-dimethyl-4-(4-pyridyl)-, Nonabino, 7-(1,2-Dimethylheptyl)-2,2-dimethyl-4-(4-pyridyl)-2H-1-benzopyran-5-ol, Nonabine [INN:BAN], Nonabinum [INN-Latin], Nonabino [INN-Spanish], UNII-77DUK856J7, 2,2-dimethyl-7-(3-methyloctan-2-yl)-4-(pyridin-4-yl)-2h-chromen-5-ol, NONABINE [INN], GTPL9235, orb1699821, SCHEMBL2111682, CHEMBL2106841, DTXSID20864727, EX-A10693, AKOS022181315, TS-08591, HY-126161, CS-0092442, NS00126922, Q7049165, 2,2-Dimethyl-7-(3-methyloctan-2-yl)-4-(pyridin-4-yl)-2H-1-benzopyran-5-ol
Theoretical properties:
molecular_formula: C25H33NO2
molecular_weight: 379.5 g/mol
exact_mass: 379.251129295 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 7
heavy_atom_count: 28
topological_polar_surface_area: 42.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: NONABINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Nonabine (BRL-4664) is an experimental drug which is a synthetic THC analog.  It was studied in the 1980s for the prevention of nausea and vomiting associated with cancer chemotherapy but was never marketed. It has strong antiemetic effects equivalent to those of chlorpromazine, and also produces some mild sedative effects, along with dry mouth and EEG changes typical of cannabinoid agonists, but with minimal changes in mood or perception, suggesting the abuse potential is likely to be low.
Compound: MLS001056594
SMILES: o1c2c(cccc2)c3c1[C@@H]4Oc5c(O)ccc6c5[C@@]47CCN([C@H]([C@@]7(C3)O)C6)CC8CC8
InChIKey: ZHVWWEYETMPAMX-PCWWUVHHSA-N
Synonyms: MLS001056594, SMR000326972, BDBM60274, cid_16219722
Theoretical properties:
molecular_formula: C26H25NO4
molecular_weight: 415.5 g/mol
exact_mass: 415.17835828 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 2
heavy_atom_count: 31
topological_polar_surface_area: 66.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
Compound: 3,4-Dihydroxyphenylethyleneglycol
SMILES: Oc1c(O)ccc(c1)C(O)CO
InChIKey: MTVWFVDWRVYDOR-UHFFFAOYSA-N
Synonyms: 3,4-Dihydroxyphenylethyleneglycol, 3343-19-9, Dihydroxyphenylethylene glycol, CHEBI:1387, RefChem:486242, 28822-73-3, 4-(1,2-dihydroxyethyl)benzene-1,2-diol, 3,4-Dihydroxyphenylglycol, DOPEG, dl-3,4-Dihydroxyphenylglycol, DL-3,4-Dihydroxyphenyl glycol, rac 3,4-Dihydroxyphenylethylene Glycol, 1,2-Benzenediol, 4-(1,2-dihydroxyethyl)-, UEH9K539KJ, 3,4-dihydroxyphenethyl glycol, 4-(1,2-Dihydroxyethyl)-1,2-benzenediol, 3,4-dihydroxyphenylethyl glycol, (+/-)-3,4-Dihydroxyphenylglycol, (3,4-dihydroxyphenyl)ethylene glycol, NSC 92532, NSC-92532, 1-(3,4-dihydroxyphenyl)-1,2-ethanediol, rac 3,4-Dihydroxyphenylethylene Glycol-d3, EINECS 249-260-9, 1,2-Benzenediol, 4-(1,2-dihydroxyethyl)-, (-)-, (1)-4-(1,2-Dihydroxyethyl)pyrocatechol, 1-(3,4-Dihydroxyphenyl)ethane-1,2-diol, UNII-UEH9K539KJ, Norepinephrine Impurity 42, (3,4-Dihydroxyphenyl)glycol, SCHEMBL141609, Phenylglycol, 3,4-dihydroxy-, SCHEMBL29457616, 3,4-Dihydroxyphenylglycol, DL-, DTXSID20865451, (+-)-3,4-Dihydroxyphenylglycol, Ba 2775, NSC92532, MFCD00004702, AKOS003368780, AKOS016843225, beta,3,4-trihydroxy phenethyl alcohol, BA-2775, CS-W010782, FD42571, HY-W010066, 4-(12-Dihydroxyethyl)benzene-12-diol, MSK158665-1000M, DHPG (3,4-DIHYDROXYPHENYLGLYCOL), MS-22923, 2-hydroxy-2-(3,4-dihydroxy)phenylethanol, DB-047467, Noradrenaline (Norepinephrine) Impurity 12, NS00014708, ST45024360, 3,4-DIHYDROXYPHENYLGLYCOL, (+/-)-, C05576, F85606, EN300-1855459, F791067, Q262270, 1,2-Benzenediol, 4-(1,2-dihydroxyethyl)-, (.+/-.)-, 1,2-Ethanediol, 1-(3,4-dihydroxyphenyl)-, (.+/-.)-, 4740838A-79C1-450B-827D-A3B2F61834F4, DL-3,4-Dihydroxyphenyl glycol Solution in Methanol, 1000ug/mL, ( inverted exclamation markA)-3,4-Dihydroxyphenyl glycol  D2 13C (M+3), DL-3,4-Dihydroxyphenylglycol;Rac 3,4-dihydroxyphenylethylene glycol-d3, 2673270-15-8
Theoretical properties:
molecular_formula: C8H10O4
molecular_weight: 170.16 g/mol
exact_mass: 170.05790880 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 4
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 2
heavy_atom_count: 12
topological_polar_surface_area: 80.9 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 130 - 132 °C
vapor_pressure: 0.00000016 [mmHg]
Descriptions:
pubchem: 3,4-dihydroxyphenylethyleneglycol is a tetrol composed of ethyleneglycol having a 3,4-dihydroxyphenyl group at the 1-position. It has a role as a metabolite and a mouse metabolite. It is a member of catechols and a tetrol.
chebi: A tetrol composed of ethyleneglycol having a 3,4-dihydroxyphenyl group at the 1-position.
Compound: Martius yellow
SMILES: O=[N+]([O-])c1c(O)c2c(cccc2)c(c1)[N+](=O)[O-]
InChIKey: FFRBMBIXVSCUFS-UHFFFAOYSA-N
Synonyms: Martius yellow, 2,4-Dinitro-1-naphthol, 605-69-6, Saffron Yellow, Naphthylene Yellow, Manchester Yellow, Martinsgelb, 2,4-dinitronaphthalen-1-ol, 1-Naphthalenol, 2,4-dinitro-, Zlut marciova, Zlut naftolova, C.I. 10315, 1-NAPHTHOL, 2,4-DINITRO-, 5PQ80Y1K6H, NSC-6148, J6.824A, DTXSID7060544, CHEBI:67128, RefChem:155932, DTXCID0042820, 210-093-1, 2,4-Dinitronaphthol, Maritus Yellow, Acid Yellow 24, 2,4-Dinitro-1-naftol, NSC 6148, 2,4-dinitro-alpha-naphthol, 2,4-dinitro-1-hydroxynaphthalene, 2,4-dinitronaphthalenol, MFCD00065352, 2-4 Dinitro-.alpha.-naphtol, Zlut marciova [Czech], Zlut naftolova [Czech], 2,4-Dinitro-1-naftol [Czech], EINECS 210-093-1, 2-4 Dinitro-alpha-naphtol [French], 2-4 Dinitro-alpha-naphtol, BRN 2057462, UNII-5PQ80Y1K6H, AI3-62661, 2,4-DINITRO-1-NAPHTHALENOL, 1-Naphthol,4-dinitro-, SCHEMBL458, 1-Naphthalenol,4-dinitro-, Naphthol Yellow (Salt/Mix), 4-06-00-04240 (Beilstein Handbook Reference), SCHEMBL29401731, WLN: L66J BQ CNW ENW, NSC6148, Martius Yellow, Dye content 85 %, AKOS015912518, AKOS021983964, CI 1315, FM52708, 2,4-Dinitro-1-naphthol: Golden yellow, 1-HYDROXY-2,4-DINITRONAPHTHALENE, AS-87548, DB-053656, D0839, NS00034393, ST50308356, D89726, EN300-310525, AE-562/13102035, F493831, Q6777283, InChI=1/C10H6N2O5/c13-10-7-4-2-1-3-6(7)8(11(14)15)5-9(10)12(16)17/h1-5,13
Theoretical properties:
molecular_formula: C10H6N2O5
molecular_weight: 234.16 g/mol
exact_mass: 234.02767130 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 0
heavy_atom_count: 17
topological_polar_surface_area: 112 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 2,4-dinitro-1-naphthol is a naphthol in which the hydroxy substituent is at C-1 with nitro groups at C-2 and -4. It has a role as a histological dye. It is a member of naphthols and a C-nitro compound.
chebi: A naphthol in which the hydroxy substituent is at C-1 with nitro groups at C-2 and -4.
wikipedia: Martius yellow is an organic compound that once was used to protect wool from moths.  It is prepared by nitration of naphthol.
Martius yellow stains have been used to stain erythrocytes yellow so that they contrast well with red fibrin in trichrome staining methods such as Lendrum's Picro Mallory and Slidder's Martius, Scarlet and Blue (MSB). It can be combined with other small molecular weight yellow dyes to increase stain intensity.