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Sparfloxacin

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Name

Sparfloxacin

EINECS N/A
CAS No. 111542-93-9 Density 1.436 g/cm3
PSA 100.59000 LogP 3.05660
Solubility N/A Melting Point 260-265 °C
Formula C19H22F2N4O3 Boiling Point 640.368 °C at 760 mmHg
Molecular Weight 392.405 Flash Point 341.082 °C
Transport Information N/A Appearance off-white to yellow crystals
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 111542-93-9 (Sparfloxacin) Hazard Symbols IrritantXi
Synonyms

5-AMINO-1-CYCLOHEXYL-7-(CIS-3,5-DIMETHYLPIPERAZINO)-6,8-DIFLUORO-1,4-DIHYDRO-4-OXO-3-QUINOLINECARBOXYLIC ACID;SPARFLOXACIN;SparfloxacinSpara;3-Quinolinecarboxylic acid, 5-amino-1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6,8-difluoro-1,4-dihydro-4-oxo-;5-Amino-1-cyclopropyl-7-(cis-3,5-dimethyl-1-piperazinyl)-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid;PD-131501;SparfloxacinHCl;Sparfloxacinhydrochloride

Article Data 3

Sparfloxacin Specification

The Sparfloxacin is an organic compound with the formula C19H22F2N4O3. The IUPAC name of this chemical is 5-amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid. With the CAS registry number 111542-93-9, it is also named as 3-quinolinecarboxylic acid, 5-amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-6,8-difluoro-1,4-dihydro-4-oxo-. The product's category is Sparfloxacin. Besides, it is a fluoroquinolone antibiotic used in the treatment of bacterial infections.

Physical properties about Sparfloxacin are: (1)ACD/LogP: 2.60; (2)ACD/LogD (pH 7.4): 0.834; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.549; (6)ACD/KOC (pH 7.4): 10.62; (7)#H bond acceptors: 7; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 98.9 Å2; (11)Index of Refraction: 1.627; (12)Molar Refractivity: 96.903 cm3; (13)Molar Volume: 273.231 cm3; (14)Polarizability: 38.415×10-24cm3; (15)Surface Tension: 60.223 dyne/cm; (16)Density: 1.436 g/cm3; (17)Flash Point: 341.082 °C; (18)Enthalpy of Vaporization: 99.363 kJ/mol; (19)Boiling Point: 640.368 °C at 760 mmHg.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@@H]1CN(C[C@@H](N1)C)c2c(c(c3c(c2F)n(cc(c3=O)C(=O)O)C4CC4)N)F
(2)InChI: InChI=1/C19H22F2N4O3/c1-8-5-24(6-9(2)23-8)17-13(20)15(22)12-16(14(17)21)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6,22H2,1-2H3,(H,27,28)/t8-,9+
(3)InChIKey: DZZWHBIBMUVIIW-DTORHVGOBM
(4)Std. InChI: InChI=1S/C19H22F2N4O3/c1-8-5-24(6-9(2)23-8)17-13(20)15(22)12-16(14(17)21)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6,22H2,1-2H3,(H,27,28)/t8-,9+
(5)Std. InChIKey: DZZWHBIBMUVIIW-DTORHVGOSA-N

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