Basic information
- CAS
71295-35-7- Standard SMILES
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](N(C)C(=O)C(F)(F)F)CC2- InChIKey
HRGYENSCJVMEMY-HNNXBMFYSA-N- Molecular formula
- C23H24F3NO6
- Average molar mass
- 467.4 g/mol
- Monoisotopic mass
- 467.15557197
Names & identifiers
- Preferred name
- Colchicine, N-methyl-17,17,17-trifluoro-
- IUPAC
- 2,2,2-trifluoro-N-methyl-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
- English name
- N-Trifluoroacetyl-N-methyl-deacetylcolchicine
- Molecular formula
- C23H24F3NO6
- Molecular weight
- 467.43
Names & synonyms
71295-35-7N-(Trifluoroacetyl)demecolchineN-(Trifluoroacetyl)demecolcineN-Methyl-17,17,17-trifluorocolchicineCOLCHICINE, N-METHYL-17,17,17-TRIFLUORO-NSC 317022DTXSID00221455RefChem:334309DTXCID00143946N-TrifluoroacetyldemecolcineN-Trifluoroacetyl-N-methyl-deacetylcolchicine2,2,2-trifluoro-N-methyl-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Show more names
(S)-2,2,2-Trifluoro-N-Methyl-N-(5,6,7,9-tetrahydro-1,2,3,10-tetraMethoxy-9-oxobenzo[a]heptalen-7-yl)acetaMideAcetamide, 2,2,2-trifluoro-N-methyl-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)-, (S)- (9CI)
CHEMBL422062NSC317022NSC-3170222,2,2-Trifluoro-N-methyl-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 865
Physicochemical properties
- Boiling point
- 692.7 · 692.7±55.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- solubility
- Chloromethane, Dichlormethane, DMSO, Methanol
- pka
- -2.11 · -2.11±0.40(Predicted)
- form
- Solid
- color
- Yellow
Chemistry & industry
Suppliers6 total
云南苏理生物医药科技有限公司0871-68355600 18787766125 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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