Gatifloxacin Impurity 21
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Basic information
- CAS
855997-06-7- Standard SMILES
COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)c[nH]c12- InChIKey
AJUURTRETAMJJJ-UHFFFAOYSA-N- Molecular formula
- C16H18FN3O4
- Average molar mass
- 335.33 g/mol
Names & identifiers
- Preferred name
- Gatifloxacin Impurity 21
- IUPAC
- 6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxo-1H-quinoline-3-carboxylic acid
- English name
- 3-Quinolinecarboxylic acid, 6-fluoro-1,4-dihydro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-
- Molecular formula
- C16H18FN3O4
- Molecular weight
- 335.33
Names & synonyms
855997-06-7Gatifloxacin Impurity 21SCHEMBL160116646-Fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic AcidBenzopyrene Impurity 8Gatifloxacin Impurity 2 HCl3-Quinolinecarboxylic acid, 6-fluoro-1,4-dihydro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-
Database identifiers
- CAS
855997-06-7
Properties
Computed structural propertiesFilling in
- XLogP
- -1.4
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 555
Physicochemical properties
- Boiling point
- 549.9 · 549.9±50.0 °C(Predicted)
- Density
- 1.347 · 1.347±0.06 g/cm3(Predicted)
- pka
- 6.45 · 6.45±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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