Basic information
- CAS
175426-02-5- Standard SMILES
CC(=O)NC1[C@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@@H]12- InChIKey
CMOSICBJHWQANO-NCNPBXTDSA-N- Molecular formula
- C22H17F3N4O4
- Average molar mass
- 458.4 g/mol
- Monoisotopic mass
- 458.12018952
Names & identifiers
- Preferred name
- Trovafloxacin metabolite M3
- IUPAC
- 7-[(1S,5R)-6-acetamido-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Names & synonyms
Trovafloxacin metabolite M30RAV43SV0QUNII-0RAV43SV0Q175426-02-51,8-Naphthyridine-3-carboxylic acid, 7-(6-(acetylamino)-3-azabicyclo(3.1.0)hex-3-yl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-, (1alpha,5alpha,6alpha)-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID, 7-(6-(ACETYLAMINO)-3-AZABICYCLO(3.1.0)HEX-3-YL)-1-(2,4-DIFLUOROPHENYL)-6-FLUORO-1,4-DIHYDRO-4-OXO-, (1.ALPHA.,5.ALPHA.,6.ALPHA.)-
Database identifiers
- CAS
175426-02-5- PubChem CID
- 9868751
- UNII
- 0RAV43SV0Q
- Nikkaji
- J785.496J
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 876
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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