N-((7S)-5,6,7,9-Tetrahydro-1,2,3-trimethoxy-10-(methylamino)-9-oxobenzo(a)heptalen-7-yl)acetamide

HCID 17798

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Basic information

CAS: 2826-80-4
Standard SMILES: CNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2
InChIKey: NLBLGIGBTKMQSA-INIZCTEOSA-N
Molecular formula: C22H26N2O5
Average molar mass: 398.5 g/mol
Monoisotopic mass: 398.18417193

Names & identifiers

Preferred name: N-((7S)-5,6,7,9-Tetrahydro-1,2,3-trimethoxy-10-(methylamino)-9-oxobenzo(a)heptalen-7-yl)acetamide
IUPAC: N-[(7S)-1,2,3-trimethoxy-10-(methylamino)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide

Names & synonyms

2826-80-4DTXSID001115945N-((7S)-5,6,7,9-Tetrahydro-1,2,3-trimethoxy-10-(methylamino)-9-oxobenzo(a)heptalen-7-yl)acetamideN-[(7S)-5,6,7,9-Tetrahydro-1,2,3-trimethoxy-10-(methylamino)-9-oxobenzo[a]heptalen-7-yl]acetamideRefChem:1090711DTXCID901547523Colchicoinamide, N-Methyl-CHEMBL88059(S)-N-(1,2,3-Trimethoxy-10-(methylamino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamideN-[(7S)-1,2,3-trimethoxy-10-(methylamino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide10-Demethoxy-10-methylaminocolchicineNSC 403149

Show more names

BRN 2788038COLCHICINE, 10-DEMETHOXY-10-METHYLAMINO-4-14-00-00923 (Beilstein Handbook Reference)SCHEMBL25493520HMS1648O10BDBM50280009STL546880AKOS001581086

Database identifiers

CAS: 2826-80-4
PubChem CID: 17798
DTXSID

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 85.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 29
Formal charge: 0
Complexity: 741

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