Colchicine, N-deacetyl-N,N-dimethyl-
Basic information
- CAS
7336-44-9- Standard SMILES
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](N(C)C)CC2- InChIKey
NDKXARFZWSQXGE-INIZCTEOSA-N- Molecular formula
- C22H27NO5
- Average molar mass
- 385.5 g/mol
- Monoisotopic mass
- 385.18892296
Overview
Colchicine, N-deacetyl-N,N-dimethyl- has been reported in Colchicum crocifolium and Colchicum schimperi with data available.
Names & identifiers
- Preferred name
- Colchicine, N-deacetyl-N,N-dimethyl-
- IUPAC
- (7S)-7-(dimethylamino)-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
- English name
- (S)-7-(Dimethylamino)-6,7-dihydro-1,2,3,10-tetramethoxybenzo[a]heptalen-9(5H)-one
- Molecular formula
- C22H27NO5
- Molecular weight
- 0
Names & synonyms
N-MethylcolchamineN-MethyldemecolcineMethylademecolcine, N-Demecolcine, N-methyl-N-Deacetyl-N,N-dimethylcolchicineB631861F037K145COLCHICINE, N-DEACETYL-N,N-DIMETHYL-NSC 403150DTXSID10223607Benzo(a)heptalen-9(5H)-one, 7-dimethylamino-6,7-dihydro-1,2,3,10-tetramethoxy-, (S)-RefChem:334307DTXCID00146098
Show more names
(S)-7-(Dimethylamino)-6,7-dihydro-1,2,3,10-tetramethoxybenzo[a]heptalen-9(5H)-one
7336-44-9NSC403150CHEMBL88003NSC-403150(7S)-7-(Dimethylamino)-1,2,3,10-tetramethoxy-6,7-dihydrobenzo[a]heptalen-9(5H)-one
Database identifiers
- CAS
7336-44-9- PubChem CID
- 23759
- DTXSID
DTXSID10223607- ChEMBL
CHEMBL88003
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 680
Physicochemical properties
- Melting point
- 206 · 206-8°C
- Toxicity
- 50 intramuscular · LD50 intramuscular in mouse: 200mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 intramuscular in mouse: 200mg/kg
Chemistry & industry
Applications
DescriptionA colchicine type alkaloid, N-methylcolchamine occurs in Merendera robusta Bge. It is laevorotatory having a specific rotation of [α]D - 109° (CHC13). The structure has been established from spectroscopic data and by comparison with colchamine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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