Basic information
- CAS
26195-68-6- Standard SMILES
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)CF)CC2- InChIKey
KXWHAQUZPQTBGU-HNNXBMFYSA-N- Molecular formula
- C22H24FNO6
- Average molar mass
- 417.4 g/mol
- Monoisotopic mass
- 417.15876565
Names & identifiers
- Preferred name
- Colchicine, 17-fluoro-
- IUPAC
- 2-fluoro-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Names & synonyms
Fluorocolchicine17-FluorocolchicineCOLCHICINE, 17-FLUORO-NSC 180259BRN 2790210DTXSID50180826Acetamide, 2-fluoro-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-Acetamide, 2-fluoro-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-Acetamide, 2-fluoro-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)-, (S)-RefChem:127437DTXCID90103317Acetamide, 2-fluoro-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-(9CI)
Show more names
26195-68-6NSC180259CHEMBL86029NSC-1802592-Fluoro-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Database identifiers
- CAS
26195-68-6- PubChem CID
- 33354
- DTXSID
DTXSID50180826- ChEMBL
CHEMBL86029
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 761
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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