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Basic Information
CAS No.: 98105-99-8
Name: Sarafloxacin
Article Data: 5
Molecular Structure:
Molecular Structure of 98105-99-8 (Sarafloxacin)
Formula: C20H17F2N3O3
Molecular Weight: 385.37
Synonyms: A 56620;PD121960;
EINECS: 1806241-263-5
Density: 1.437 g/cm3
Melting Point: 282-285 °C(Solv: chloroform (67-66-3); ethanol (64-17-5))
Boiling Point: 621.4 °C at 760 mmHg
Flash Point: 329.6 °C
Safety: 24/25
PSA: 74.57000
LogP: 2.77050
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    Sarafloxacin CAS No.98105-99-8

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Chemistry

Molecular Structure of Sarafloxacin (CAS No.98105-99-8):
 
Molecular Formula: C20H17F2N3O3 
Molecular Weight: 385.3641
CAS No: 98105-99-8
H bond acceptors: 6
H bond donors: 2
Freely Rotating Bonds: 3
Polar Surface Area: 53.09 Å2
Index of Refraction: 1.633
Molar Refractivity: 95.81 cm3
Molar Volume: 268.2 cm3
Surface Tension: 58.6 dyne/cm
Density: 1.436 g/cm3
Flash Point: 329.6 °C
Enthalpy of Vaporization: 96.79 kJ/mol
Boiling Point: 621.4 °C at 760 mmHg
Vapour Pressure: 2.67E-16 mmHg at 25°C
IUPAC Name:6-Fluoro-1-(4-fluorophenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
InChI: InChI=1/C20H17F2N3O3/c21-12-1-3-13(4-2-12)25-11-15(20(27)28)19(26)14-9-16(22)18(10-17(14)25)24-7-5-23-6-8-24/h1-4,9-11,23H,5-8H2,(H,27,28)
InChIKey: XBHBWNFJWIASRO-UHFFFAOYAF
Std. InChI: InChI=1S/C20H17F2N3O3/c21-12-1-3-13(4-2-12)25-11-15(20(27)28)19(26)14-9-16(22)18(10-17(14)25)24-7-5-23-6-8-24/h1-4,9-11,23H,5-8H2,(H,27,28)
Std. InChIKey: XBHBWNFJWIASRO-UHFFFAOYSA-N
Product Categories: Antibiotics;Inhibitors;Intermediates Fine Chemicals;Pharmaceuticals

Safety Profile

Hazardous Substances Data: 98105-99-8

Specification

   Sarafloxacin (CAS No.98105-99-8), its synonyms are 6-Fluoro-1-(4-fluorophenyl)-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid ; 3-Quinolinecarboxylic acid, 6-fluoro-1-(4-fluorophenyl)-1,4-dihydro-4-oxo-7-(1-piperazinyl)- ; 6-Fluoro-1-(4-fluorophenyl)-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid hydrochloride .