Pazufloxacin Impurity 7
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Basic information
- CAS
163680-80-6- Standard SMILES
CC(=O)NC1(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)CC1- InChIKey
NHWUARBIYNETTE-QMMMGPOBSA-N- Molecular formula
- C18H17FN2O5
- Average molar mass
- 360.3 g/mol
- Monoisotopic mass
- 360.11214981
Names & identifiers
- Preferred name
- Pazufloxacin Impurity 7
- IUPAC
- (2S)-6-(1-acetamidocyclopropyl)-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
- English name
- 7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 10-[1-(acetylaMino)cyclopropyl]-9-fluoro-2,3-dihydro-3-Methyl-7-oxo-, (S)- (9CI)
- Molecular formula
- C18H17FN2O5
- Molecular weight
- 360.34
Names & synonyms
Pazufloxacin Impurity 7SCHEMBL9875713CHEMBL3765943(S)-10-(1-acetamidocyclopropyl)-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acidPazufloxacin Impurity B-47H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 10-[1-(acetylaMino)cyclopropyl]-9-fluoro-2,3-dihydro-3-Methyl-7-oxo-, (S)- (9CI)
Database identifiers
- CAS
163680-80-6- PubChem CID
- 10021404
- ChEMBL
CHEMBL3765943- Nikkaji
- J1.641.412C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 704
Physicochemical properties
- Boiling point
- 643.4 · 643.4±55.0 °C(Predicted)
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- pka
- 5.26 · 5.26±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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