Basic information
- Name:
3-Quinolinecarboxylicacid,6-fluoro-1-(4-fluorophenyl)-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-,hydrochloride (1:1)
- Superlist Name:
- Difluoxacin hydrochloride
- CAS No.:
91296-86-5
- Molecular Structure:
- Formula:
- C21H19F2N3O3.HCl
- Molecular Weight:
- 435.85
- Synonyms:
- 3-Quinolinecarboxylicacid,6-fluoro-1-(4-fluorophenyl)-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-,monohydrochloride (9CI);
- Density:
- 1.409 g/cm3
- Melting Point:
- >245 °C (dec.)
- Boiling Point:
- 595.5 °C at 760 mmHg
- Flash Point:
- 313.9 °C
- Appearance:
- off-white to pale yellow solid
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Chemistry
Molecular Structure of Difluoxacin hydrochloride (CAS No.91296-86-5):
Molecular Formula: C21H20ClF2N3O3
Molecular Weight: 435.8516
CAS No: 91296-86-5
H bond acceptors: 6
H bond donors: 1
Freely Rotating Bonds: 3
Polar Surface Area: 53.09 Å2
Flash Point: 313.9 °C
Enthalpy of Vaporization: 93.32 kJ/mol
Boiling Point: 595.5 °C at 760 mmHg
Vapour Pressure: 5.01E-15 mmHg at 25°C
IUPAC: 6-Fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid hydrochloride
Classification Code: Anti-infective [DNA gyrase inhibitor]
InChI: InChI=1/C21H19F2N3O3.ClH/c1-24-6-8-25(9-7-24)19-11-18-15(10-17(19)23)20(27)16(21(28)29)12-26(18)14-4-2-13(22)3-5-14;/h2-5,10-12H,6-9H2,1H3,(H,28,29);1H
InChIKey: JFMGBGLSDVIOHL-UHFFFAOYAR
Std. InChI: InChI=1S/C21H19F2N3O3.ClH/c1-24-6-8-25(9-7-24)19-11-18-15(10-17(19)23)20(27)16(21(28)29)12-26(18)14-4-2-13(22)3-5-14;/h2-5,10-12H,6-9H2,1H3,(H,28,29);1H
Std. InChIKey: JFMGBGLSDVIOHL-UHFFFAOYSA-N
Product Categories: Active Pharmaceutical Ingredients
Safety Profile
RTECS: VB2008975
Specification
Difluoxacin hydrochloride (CAS No.91296-86-5), its synonyms are 6-Fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid hydrochloride ; 3-Quinolinecarboxylic acid, 6-fluoro-1-(4-fluorophenyl)-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-, hydrochloride (1:1) ; 6-Fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride (1:1) ; Difloxacin hydrochloride ; 3-Quinolinecarboxylic acid, 6-fluoro-1-(4-fluorophenyl) 1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-, monohydrochloride .