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| CAS No.: | 111542-93-9 |
|---|---|
| Name: | Sparfloxacin |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C19H22F2N4O3 |
| Molecular Weight: | 392.405 |
| 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 |
| Density: | 1.436 g/cm3 |
| Melting Point: | 260-265 °C |
| Boiling Point: | 640.368 °C at 760 mmHg |
| Flash Point: | 341.082 °C |
| Appearance: | off-white to yellow crystals |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 100.59000 |
| LogP: | 3.05660 |
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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