Colchicine, N-benzoyl-N-deacetyl-10-thio-

HCID 44566

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Basic information

CAS: 63620-47-3
Standard SMILES: COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)c1ccccc1)CC2
InChIKey: AHNUEGAJJOXHHL-FQEVSTJZSA-N
Molecular formula: C27H27NO5S
Average molar mass: 477.6 g/mol
Monoisotopic mass: 477.16099414

Names & identifiers

Preferred name: Colchicine, N-benzoyl-N-deacetyl-10-thio-
IUPAC: N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide

Names & synonyms

BRN 3184512Colchicine, N-benzoyl-N-deacetyl-10-thio-63620-47-3Benzamide, N-(5,6,7,9-tetrahydro-10-(methylthio)-9-oxo-1,2,3-trimethoxybenzo(a)heptalen-7-yl)-, (S)-CHEMBL280133SCHEMBL41977794DTXSID10979834N-[(7S)-1,2,3-Trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]benzenecarboximidic acidN-[1,2,3-Trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]benzenecarboximidic acid

Database identifiers

CAS: 63620-47-3
PubChem CID: 44566
DTXSID: DTXSID10979834
ChEMBL: CHEMBL280133

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 99.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 6
Heavy atoms: 34
Formal charge: 0
Complexity: 859

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