Basic information
- CAS
71324-48-6- Standard SMILES
COc1cc2c(c(OC)c1OC)-c1ccc(=O)c(OC)cc1[C@@H](NC(=O)C(F)(F)F)CC2- InChIKey
MMPDMRMUKXXBSV-AWEZNQCLSA-N- Molecular formula
- C22H22F3NO6
- Average molar mass
- 453.4 g/mol
- Monoisotopic mass
- 453.13992191
Names & identifiers
- Preferred name
- Acetamide, 2,2,2-trifluoro-N-(5,6,7,10-tetrahydro-1,2,3,9-tetramethoxy-10-oxobenzo(a)heptalen-7-yl)-, (S)-
- IUPAC
- 2,2,2-trifluoro-N-[(7S)-1,2,3,9-tetramethoxy-10-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
- English name
- 2,2,2-Trifluoro-N-[(7S)-5,6,7,10-tetrahydro-1,2,3,9-tetramethoxy-10-oxobenzo[a]heptalene-7-yl]acetamide
- Molecular formula
- C22H22F3NO6
- Molecular weight
- 453.41
Names & synonyms
71324-48-6N-Trifluoroacetyl-N-deacetylisocolchicineNSC 317025Acetamide, 2,2,2-trifluoro-N-(5,6,7,10-tetrahydro-1,2,3,9-tetramethoxy-10-oxobenzo(a)heptalen-7-yl)-, (S)-DTXSID60221517Acetamide, 2,2,2-trifluoro-N-(5,6,7,10-tetrahydro-1,2,3,9-tetramethoxy-10-oxobenzo[a]heptalen-7-yl)-, (S)-RefChem:314269DTXCID90144008N-Trifluoroacetyliso Deacetylcolchicine2,2,2-trifluoro-N-[(7S)-1,2,3,9-tetramethoxy-10-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamideNSC317025CHEMBL89087
Show more names
N-(Trifluoroacetyl)deacetylisocolchicine2,2,2-TRIFLUORO-N-(1,2,3,9-TETRAMETHOXY-10-OXO-BENZO(A)HEPTALEN-7-YL)-ACETAMIDE(S)-6,7-Dihydro-7α-trifluoroacetylamino-1,2,3,9-tetramethoxybenzo[a]heptalen-10(5H)-one2,2,2-Trifluoro-N-[(7S)-5,6,7,10-tetrahydro-1,2,3,9-tetraMethoxy-10-oxobenzo[a]heptalen-7-yl]acetaMide2,2,2-Trifluoro-N-[(7S)-5,6,7,10-tetrahydro-1,2,3,9-tetramethoxy-10-oxobenzo[a]heptalene-7-yl]acetamide
Properties
Computed structural properties
- XLogP
- 2.1
- 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
LogP2.08
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 Chloroform, Dichlormethane, DMSO, Ethanol, Ethyl Acetate, Methanol
- pka
- 9.44 · 9.44±0.40(Predicted)
- form
- Solid
- color
- Tan
Chemistry & industry
Suppliers5 total
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]
艾吉析科技（上海）有限公司17717235263 17717235263 · [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
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Compound notes
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