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180200-66-2

Basic Information
CAS No.: 180200-66-2
Name: Gatifloxacin sesquihydrate
Article Data: 2
Molecular Structure:
Molecular Structure of 180200-66-2 (Gatifloxacin sesquihydrate)
Formula: C19H22FN3O4.1.5(H2O)
Molecular Weight: 411.43
Synonyms: (?à)-1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylicacid, sesquihydrate;3-Quinolinecarboxylicacid,1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-,hydrate (2:3);
EINECS: 672-577-2
Density: 1.386 g/cm3
Boiling Point: 607.8 °C at 760 mmHg
Flash Point: 321.4 °C
Hazard Symbols: Xn
Risk Codes: 20/21/22
Safety: 36/37
PSA: 195.29000
LogP: 4.55550
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Specification

1. Introduction of Gatifloxacin sesquihydrate

Gatifloxacin sesquihydrate, with other name of 3-Quinolinecarboxylicacid,1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-,hydrate (2:3), is one kind of drug. This chemical belongs to the Product Categories which include Active Pharmaceutical Ingredients; APIs.

2. Properties of Gatifloxacin sesquihydrate

Gatifloxacin sesquihydrate has the following datas: (1)Index of Refraction: 1.616; (2)Molar Refractivity: 94.64 cm3; (3)Molar Volume: 270.7 cm3; (4)Polarizability: 37.51×10-24cm3; (5)Surface Tension: 57.7 dyne/cm; (6)Density: 1.386 g/cm3; (7)Flash Point: 321.4 °C; (8)Enthalpy of Vaporization: 94.96 kJ/mol; (9)Boiling Point: 607.8 °C at 760 mmHg; (10)Vapour Pressure: 1.26E-15 mmHg at 25°C.

3. Structure Descriptors of Gatifloxacin sesquihydrate

You could convert the following datas into the molecular structure:
InChI: InChI=1S/2C19H22FN3O4.3H2O/c2*1-10-8-22(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;;;/h2*7,9-11,21H,3-6,8H2,1-2H3,(H,25,26);3*1H2 
InChIKey: InChIKey=RMJMZKDEVNTXHE-UHFFFAOYSA-N 
Smiles: CC1CN(CCN1)c2c(cc3c(c2OC)n(cc(c3=O)C(=O)O)C4CC4)F.CC1CN(CCN1)c2c(cc3c(c2OC)n(cc(c3=O)C(=O)O)C4CC4)F.O.O.O