Basic information
- CAS
26195-65-3- Standard SMILES
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)C(F)(F)F)CC2- InChIKey
MCHADYPYCJQLMV-AWEZNQCLSA-N- Molecular formula
- C22H22F3NO6
- Average molar mass
- 453.4 g/mol
- Monoisotopic mass
- 453.13992191
Names & identifiers
- Preferred name
- Colchicine, 17,17,17-trifluoro-
- IUPAC
- 2,2,2-trifluoro-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
- English name
- N-[(S)-5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]-2,2,2-trifluoroacetamide
- Molecular formula
- C22H22F3NO6
- Molecular weight
- 453.41
Names & synonyms
26195-65-3COLCHICINE, 17,17,17-TRIFLUORO-NSC 305987N-Deacetyl-N-(trifluoroacetyl)colchicineBRN 3021687DTXSID90180825RefChem:334303DTXCID30103316N-Trifluoroacetyl Deacetylcolchicine2,2,2-trifluoro-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide17,17,17-TrifluorocolchicineNSC305987
Show more names
Colchicine Impurity 25N-[(S)-5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]-2,2,2-trifluoroacetamide2,2,2-Trifluoro-N-[(7S)-5,6,7,9-tetrahydro-1,2,3,10-tetraMethoxy-9-oxobenzo[a]heptalen-7-yl]acetaMideAcetamide, 2,2,2-trifluoro-N-[(7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]-
CHEMBL83406N-Trifluoroacetyl-N-deacetylcolchicineNSC-305987DB-2311682,2,2-Trifluoro-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamideAcetamide,2,2-trifluoro-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)-, (S)-
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 834
Experimental & physicochemical properties
LogP1.72
Physicochemical properties
- Boiling point
- 681.3 · 681.3±55.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- solubility
- soluble in Chloromethane, Dichlormethane, DMSO, Methanol
- pka
- 9.68 · 9.68±0.40(Predicted)
- form
- Crystalline Powder
- color
- Faintly Yellow
Chemistry & industry
Applications
UsesAn antimitotic agent that disrupts microtubles by binding to tubulin and preventing its polymerization. Stimulates the intrinsic GTPase activity of tubulin. Induces apoptosis in several normal and tumor cell lines and activates the JNK/SAPK signaling pathway.
Upstream & downstream products
Upstream raw materials
Suppliers6 total
云南苏理生物医药科技有限公司0871-68355600 18787766125 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [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]
上海语锌医药科技有限公司15921286451; 15921286451 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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