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| CAS No.: | 175463-14-6 |
|---|---|
| Name: | Gemifioxacin |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C18H20FN5O4 |
| Molecular Weight: | 389.386 |
| Synonyms: | 7-[(4Z)-3-(Aminomethyl)-4-(methoxyimino)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid;1,8-naphthyridine-3-carboxylic acid, 7-[(4Z)-3-(aminomethyl)-4-(methoxyimino)-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-;(Z)-7-(3-(aminomethyl)-4-(methoxyimino)pyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid;Gemifioxacin; |
| Density: | 1.648 g/cm3 |
| Melting Point: | 235-237° |
| Boiling Point: | 638.919 °C at 760 mmHg |
| Flash Point: | 340.206 °C |
| Appearance: | powder |
| PSA: | 123.04000 |
| LogP: | 1.73130 |
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Specification
Gemifloxacin(CAS NO.175463-14-6) is an oral broad-spectrum quinolone antibacterial agent which is used in the treatment of acute bacterial exacerbation of chronic bronchitis and mild-to-moderate pneumonia. It is also called 7-(3-aminomethyl)-4-methoxyimino-pyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1, 4-dihydro-[1, 8]naphthyridine-3-carboxylic acid; 7-[3-(Aminomethyl)-4-(methoxyimino)-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic Acid Mesilate; Gemifloxacin Mesilate; LB-20304 Mesilat; SB-265805 Mesilate; 7-(3-Aminomethyl)-4-methoxyimino-pyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1, 4-dihydro-[1, 8]naphthyridine-3-carboxylic acid.
Physical properties about Gemifloxacin are: (1)ACD/LogP: 0.383; (2)ACD/LogD (pH 5.5): -2.34; (3)ACD/LogD (pH 7.4): -2.09; (4)ACD/BCF (pH 5.5): 1.00 ; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 1.00; (8)#H bond acceptors: 9; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.735; (12)Molar Refractivity: 94.87 cm3; (13)Molar Volume: 236.331 cm3 ; (14)Polarizability: 37.609 10-24cm3; (15)Surface Tension: 66.1210021972656 dyne/cm; (16)Density: 1.648 g/cm3; (17)Flash Point: 340.206 °C; (18)Enthalpy of Vaporization: 99.166 kJ/mol; (19)Boiling Point: 638.919 °C at 760 mmHg
You can still convert the following datas into molecular structure:
(1)InChI=1S/C18H20FN5O4/c1-28-22-14-8-23(6-9(14)5-20)17-13(19)4-11-15(25)12(18(26)27)7-24(10-2-3-10)16(11)21-17/h4,7,9-10H,2-3,5-6,8,20H2,1H3,(H,26,27)/b22-14+;
(2)InChIKey=ZRCVYEYHRGVLOC-HYARGMPZSA-N;
(3)SmilesCO/N=C/1\CN(CC1CN)c2c(cc3c(=O)c(cn(c3n2)C4CC4)C(=O)O)F