Benzo(a)heptalen-9(5H)-one, 7-amino-10-(dimethylamino)-6,7-dihydro-1,2,3-trimethoxy-, (S)-

HCID 453136

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Basic information

CAS: 38479-01-5
Standard SMILES: COc1cc2c(c(OC)c1OC)-c1ccc(N(C)C)c(=O)cc1[C@@H](N)CC2
InChIKey: QLWPRMAGTWQOGJ-HNNXBMFYSA-N
Molecular formula: C21H26N2O4
Average molar mass: 370.4 g/mol
Monoisotopic mass: 370.18925731

Names & identifiers

Preferred name: Benzo(a)heptalen-9(5H)-one, 7-amino-10-(dimethylamino)-6,7-dihydro-1,2,3-trimethoxy-, (S)-
IUPAC: (7S)-7-amino-10-(dimethylamino)-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one

Names & synonyms

Aminodeacetyl-N,N-dimethylcolchicideColchicide, aminodeacetyl-N,N-dimethyl-38479-01-510-Dimethylamino-N-deacetyl-10-demethoxycolchicineBenzo(a)heptalen-9(5H)-one, 7-amino-10-(dimethylamino)-6,7-dihydro-1,2,3-trimethoxy-, (S)-Benzo[a]heptalen-9(5H)-one, 7-amino-10-(dimethylamino)-6,7-dihydro-1,2,3-trimethoxy-, (S)-CHEMBL465237DTXSID90191794(7S)-7-amino-10-(dimethylamino)-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one(7S)-7-Amino-10-(dimethylamino)-1,2,3-trimethoxy-6,7-dihydrobenzo[a]heptalen-9(5H)-one

Database identifiers

CAS: 38479-01-5
PubChem CID: 453136
DTXSID: DTXSID90191794
ChEMBL: CHEMBL465237

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 74 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 27
Formal charge: 0
Complexity: 667

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