N-(3,4,5-Trimethoxybenzoyl)deacetylcolchicine
Basic information
- CAS
86436-39-7- Standard SMILES
COc1cc(C(=O)N[C@H]2CCc3cc(OC)c(OC)c(OC)c3-c3ccc(OC)c(=O)cc32)cc(OC)c1OC- InChIKey
YWIKVBNQUVBQEN-FQEVSTJZSA-N- Molecular formula
- C30H33NO9
- Average molar mass
- 551.6 g/mol
- Monoisotopic mass
- 551.21553163
Names & identifiers
- Preferred name
- N-(3,4,5-Trimethoxybenzoyl)deacetylcolchicine
- IUPAC
- 3,4,5-trimethoxy-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide
Names & synonyms
N-(3,4,5-Trimethoxybenzoyl)deacetylcolchicineNSC 355256BRN 568260686436-39-7Colchicine, N-deacetyl-N-(3,4,5-trimethoxybenzoyl)-Benzamide, N-(5,6,7,9-tetrahydro-9-oxo-1,2,3,10-tetramethoxybenzo(a)heptalen-7-yl)-3,4,5-trimethoxy-, (S)-DTXSID70235549Benzamide, 3,4,5-trimethoxy-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-Benzamide, 3,4,5-trimethoxy-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)-, (S)-Colchicine, N-deacetyl-(3,4,5-trimethoxybenzoyl)-Colchicine, N-deacetyl-[3,4,5-trimethoxybenzoyl]-RefChem:161823
Show more names
DTXCID50158040YWIKVBNQUVBQEN-UHFFFAOYSA-NNSC355256NSC-3552569NL4857NZRCHEMBL2876343,4,5-trimethoxy-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamideN-(3,4,5-Trimethoxybenzoyl)-N-deacetylcolchicine
Database identifiers
- CAS
86436-39-7- PubChem CID
- 84075
- DTXSID
DTXSID70235549- ChEMBL
CHEMBL287634- UNII
- 9NL4857NZR
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 993
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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