Basic information
- CAS
134568-36-8- Standard SMILES
O=C(N[C@H]1CCc2cc(O)c(O)c(O)c2-c2ccc(O)c(=O)cc21)C(F)(F)F- InChIKey
NFYKADOLBDURBY-JTQLQIEISA-N- Molecular formula
- C18H14F3NO6
- Average molar mass
- 397.3 g/mol
- Monoisotopic mass
- 397.07732165
Names & identifiers
- Preferred name
- N-Trifluoroacetyl-N-deacetyl-1,2,3-demethylisocolchiceine
- IUPAC
- 2,2,2-trifluoro-N-[(7S)-1,2,3,10-tetrahydroxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Names & synonyms
N-Trifluoroacetyl-N-deacetyl-1,2,3-demethylisocolchiceine134568-36-8Acetamide, 2,2,2-trifluoro-N-(5,6,7,10-tetrahydro-1,2,3,9-tetrahydroxy-10-oxobenzo(a)heptalen-7-yl)-, (S)-Acetamide, 2,2,2-trifluoro-N-(5,6,7,10-tetrahydro-1,2,3,9-tetrahydroxy-10-oxobenzo[a]heptalen-7-yl)-, (S)-CHEMBL9892DTXSID301588062,2,2-Trifluoro-N-[(7S)-1,2,3,10-tetrahydroxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide2,2,2-trifluoro-N-[(7S)-1,2,3,9-tetrahydroxy-10-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Database identifiers
- CAS
134568-36-8- PubChem CID
- 453142
- DTXSID
DTXSID30158806- ChEMBL
CHEMBL9892
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 1
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 772
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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