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| CAS No.: | 105956-97-6 |
|---|---|
| Name: | Clinafloxacin |
| Molecular Structure: | |
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| Formula: | C17H17ClFN3O3 |
| Molecular Weight: | 365.792 |
| Synonyms: | 7-(3-Amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-8-chloro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid;PD 127391; |
| Density: | 1.573 g/cm3 |
| Melting Point: | 253-258 °C |
| Boiling Point: | 592.3 °C at 760 mmHg |
| Flash Point: | 312 °C |
| Appearance: | White to light yellow crystalline powder. |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 88.56000 |
| LogP: | 3.12980 |
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Specification
The Clinafloxacin is an organic compound with the formula C17H17ClFN3O3. The IUPAC name of this chemical is 7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid. With the CAS registry number 105956-97-6, it is also named as 3-pyrrolidinaminium, 1-(3-carboxy-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-quinolinyl)-, inner salt. Besides, it is a quinolone antibiotic. Its use is associated with phototoxicity and hypoglycaemia.
Physical properties about Clinafloxacin are: (1)ACD/LogP: 0.98 ; (2)ACD/LogD (pH 5.5): -1.69; (3)ACD/LogD (pH 7.4): -1.25; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 53.09 Å2; (12)Index of Refraction: 1.684; (13)Molar Refractivity: 88.35 cm3; (14)Molar Volume: 232.5 cm3; (15)Polarizability: 35.02×10-24cm3; (16)Surface Tension: 75.9 dyne/cm; (17)Density: 1.573 g/cm3; (18)Flash Point: 312 °C; (19)Enthalpy of Vaporization: 92.89 kJ/mol; (20)Boiling Point: 592.3 °C at 760 mmHg; (21)Vapour Pressure: 7.14E-15 mmHg at 25°C.
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: Fc2c(c(Cl)c1N(/C=C(/C(=O)O)C(=O)c1c2)C3CC3)N4CCC(N)C4
(2)InChI: InChI=1/C17H17ClFN3O3/c18-13-14-10(5-12(19)15(13)21-4-3-8(20)6-21)16(23)11(17(24)25)7-22(14)9-1-2-9/h5,7-9H,1-4,6,20H2,(H,24,25)
(3)InChIKey: QGPKADBNRMWEQR-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C17H17ClFN3O3/c18-13-14-10(5-12(19)15(13)21-4-3-8(20)6-21)16(23)11(17(24)25)7-22(14)9-1-2-9/h5,7-9H,1-4,6,20H2,(H,24,25)
(5)Std. InChIKey: QGPKADBNRMWEQR-UHFFFAOYSA-N