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112811-59-3

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Basic Information
CAS No.: 112811-59-3
Name: 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid
Article Data: 16
Molecular Structure:
Molecular Structure of 112811-59-3 (1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid)
Formula: C19H22FN3O4
Molecular Weight: 375.4
Synonyms: 1-Cyclopropyl-6-fluoro-8-methoxy-1,4-dihydro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylicacid;G-Cebran;Gaity;Gatiflo;Gatilox;Gatiquin;Gatispan;Tequin;Tymer;Zymar;
EINECS: 664-293-2
Density: 1.386 g/cm3
Melting Point: 162 °C
Boiling Point: 607.8 °C at 760 mmHg
Flash Point: 321.4 °C
Appearance: white powder
Hazard Symbols: Xn
Risk Codes: 20/21/22
Safety: 36/37
PSA: 83.80000
LogP: 2.37420
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Chemistry

Molecular Structure of Andrographis (CAS NO.112811-59-3):

IUPAC Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid 
Empirical Formula: C19H22FN3O4
Molecular Weight: 375.394
H bond acceptors: 7
H bond donors: 2
Freely Rotating Bonds: 4
Polar Surface Area: 62.32 Å2
Index of Refraction: 1.616
Molar Refractivity: 94.64 cm3
Molar Volume: 270.7 cm3
Surface Tension: 57.7 dyne/cm
Density: 1.386 g/cm3
Flash Point: 321.4 °C
Enthalpy of Vaporization: 94.96 kJ/mol
Boiling Point: 607.8 °C at 760 mmHg
Vapour Pressure: 1.26E-15 mmHg at 25°C
Melting point: 162°C
Storage temp: Store at 0-5°C
InChI
InChI=1/C19H22FN3O4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)
Smiles
n1(c2c(cc(c(c2OC)N2C[C@@H](C)NCC2)F)c(c(c1)C(=O)O)=O)C1CC1
Product Categories: API; Intermediates & Fine Chemicals; Pharmaceuticals; API's

History

Bristol-Myers Squibb introduced Gatifloxacin in 1999 under the proprietary name Tequin for the treatment of respiratory tract infections, having licensed the medication from Kyorin Pharmaceutical Company of Japan. Allergan produces an eye-drop formulation called Zymar.

Specification

  Andrographis , with CAS number of 112811-59-3, can be called 1-Cyclopropyl-6-fluoro-8-methoxy-1,4-dihydro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylicacid ; G-Cebran ; Gaity ; Gatiquin . It is a white to light yellow powder, used to inhibit the bacterial enzymes DNA gyrase and topoisomerase IV.