1,2-Didemethylcolchicine
Basic information
- CAS
78231-83-1- Standard SMILES
COc1cc2c(c(O)c1O)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2- InChIKey
QCOIAAVYXNEUDX-UHFFFAOYSA-N- Molecular formula
- C20H21NO6
- Average molar mass
- 371.4 g/mol
- Monoisotopic mass
- 371.13688739
Names & identifiers
- Preferred name
- 1,2-Didemethylcolchicine
- IUPAC
- N-(1,2-dihydroxy-3,10-dimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide
Names & synonyms
1,2-Didemethylcolchicine78231-83-1NSC354975Acetamide, N-(5,6,7,9-tetrahydro-1,2-dihydroxy-3,10-dimethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-CHEMBL1975605QCOIAAVYXNEUDX-UHFFFAOYSA-NNSC 354975NSC-354975Acetamide, N-(5,6,7,9-tetrahydro-1,2-dihydroxy-3,10-dimethoxy-9-oxobenzo(a)heptalen-7-yl)-,(S)-Acetamide,6,7,9-tetrahydro-1,2-dihydroxy-3,10-dimethoxy-9-oxobenzo[a]heptalen-7-yl)-, (S)-N-(1,2-Dihydroxy-3,10-dimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide #
Database identifiers
- CAS
78231-83-1- PubChem CID
- 100174
- ChEMBL
CHEMBL1975605
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 709
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Compound notes
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