Colchicine, N-deacetyl-N-(p-nitrobenzoyl)-
Basic information
- CAS
76129-13-0- Standard SMILES
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)CC2- InChIKey
CRXFDHISRJTSDH-FQEVSTJZSA-N- Molecular formula
- C27H26N2O8
- Average molar mass
- 506.5 g/mol
- Monoisotopic mass
- 506.16891579
Names & identifiers
- Preferred name
- Colchicine, N-deacetyl-N-(p-nitrobenzoyl)-
- IUPAC
- 4-nitro-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide
- English name
- 4-Nitro-N-[(S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]benzamide
- Molecular weight
- 0
Names & synonyms
76129-13-0N-Deacetyl-N-(p-nitrobenzoyl)colchicineNSC 309696BRN 5323103COLCHICINE, N-DEACETYL-N-(p-NITROBENZOYL)-DTXSID10226991Benzamide, 4-nitro-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-RefChem:334308DTXCID40149482NSC309696CHEMBL315733NSC-309696
Show more names
Colchicine Impurity 204-Nitro-N-[(S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]benzamide
N-Deacetyl-N-(p-nitrobenzoyl)-colchicine4-Nitro-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]benzamide
Database identifiers
- CAS
76129-13-0- PubChem CID
- 53453
- DTXSID
DTXSID10226991- ChEMBL
CHEMBL315733- Nikkaji
- J118.418K
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 975
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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