2,3-Didemethylcolchicine
Completing data — refresh the page later to see the latest
Basic information
- CAS
102491-81-6- Standard SMILES
COc1c(O)c(O)cc2c1-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2- InChIKey
DEIXKZGDCOFYAR-UHFFFAOYSA-N- Molecular formula
- C20H21NO6
- Average molar mass
- 371.4 g/mol
- Monoisotopic mass
- 371.13688739
Overview
N-(2,3-Dihydroxy-1,10-dimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide has been reported in Colchicum speciosum with data available.
Names & identifiers
- Preferred name
- 2,3-Didemethylcolchicine
- IUPAC
- N-(2,3-dihydroxy-1,10-dimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide
- English name
- 2,3-didemethylcolchicine
- Molecular formula
- C20H21NO6
- Molecular weight
- 371.38
Names & synonyms
2,3-Didemethylcolchicine57866-21-42,3-didemethyl-colchicineRefChem:908605N-(2,3-Dihydroxy-1,10-dimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamideNSC354974N-(2,3-dihydroxy-1,10-dimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide2,3-DimethylcolchicineNSC 354974Colchicine Impurity 42,3-DedimethylcolchicineCHEMBL1984076
Show more names
(S)-7-(Acetylamino)-6,7-dihydro-1,10-dimethoxy-2,3-dihydroxybenzo[a]heptalen-9(5H)-oneAcetamide, N-[(7S)-5,6,7,9-tetrahydro-2,3-dihydroxy-1,10-dimethoxy-9-oxobenzo[a]heptalen-7-yl]-
DEIXKZGDCOFYAR-UHFFFAOYSA-NDTXSID901125731NSC-354974102491-81-6Acetamide, N-(5,6,7,9-tetrahydro-2,3-dihydroxy-1,10-dimethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-Acetamide, N-(5,6,7,9-tetrahydro-2,3-dihydroxy-1,10-dimethyoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-N-(5,6,7,9-Tetrahydro-2,3-dihydroxy-1,10-dimethoxy-9-oxobenzo[a]heptalen-7-yl)acetamideAcetamide, N-(5,6,7,9-tetrahydro-2,3-dihydroxy-1, {10-dimethoxy-9-oxobenzo[a]heptalen-7-yl)-,} (S)-
Properties
Computed structural propertiesFilling in
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…