Sitafloxacin Dechloro Impurity
Basic information
- CAS
500569-52-8- Standard SMILES
N[C@@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3[C@@H]2C[C@@H]2F)CC12CC2- InChIKey
CQGFCCLFQFQTTI-APHBMKBZSA-N- Molecular formula
- C19H19F2N3O3
- Average molar mass
- 375.4 g/mol
- Monoisotopic mass
- 375.1394478
Names & identifiers
- Preferred name
- Sitafloxacin Dechloro Impurity
- IUPAC
- 7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid
- English name
- 7-((S)-7-amino-5-azaspiro[2.4]heptan-5-yl)-6-fluoro-1-((1R,2S)-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
- Molecular formula
- C19H19F2N3O3
- Molecular weight
- 375.37
Names & synonyms
7-((S)-7-amino-5-azaspiro[2.4]heptan-5-yl)-6-fluoro-1-((1R,2S)-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acidSitafloxacin Dechloro ImpurityYN2XFP44C8500569-52-8SCHEMBL61832663-Quinolinecarboxylic acid, 7-[(7S)-7-amino-5-azaspiro[2.4]hept-5-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-4-oxo-7-[(7S)-7-Amino-5-azaspiro[2.4]hept-5-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-4-oxo-3-quinolinecarboxylic acidSitafloxacin Impurity 46XTSX-imp-8 reference standardSitafloxacin Dechloro Impurity (Sitafloxacin Impurity 25)
Database identifiers
- CAS
500569-52-8- PubChem CID
- 9999516
- UNII
- YN2XFP44C8
- Nikkaji
- J669.211G
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 725
Physicochemical properties
- Boiling point
- 609.6 · 609.6±55.0 °C(Predicted)
- Density
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- pka
- 6.42 · 6.42±0.41(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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