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Name |
Gemifioxacin mesylate |
EINECS | 1312995-182-4 |
CAS No. | 210353-53-0 | Density | N/A |
PSA | 185.79000 | LogP | 2.31610 |
Solubility | N/A | Melting Point |
235-237 °C |
Formula | C18H20FN5O4.CH4SO3 | Boiling Point | 638.9 °C at 760 mmHg |
Molecular Weight | 485.493 | Flash Point | 340.2 °C |
Transport Information | N/A | Appearance | beige solid |
Safety | 24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Factive;7-((4Z)-3-(Aminomethyl)-4-methoxyiminopyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-(1,8)naphthyridine-3-carboxylic acid monomethanesulfonate; |
Article Data | 9 |
The IUPAC name of Gemifioxacin mesylate is 7-[(4Z)-3-(aminomethyl)-4-methoxyiminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid; methanesulfonic acid. With the CAS registry number 210353-53-0, it is also named as Factive. The product's categories are Intermediates & Fine Chemicals; Pharmaceuticals, and the other registry numbers are 204519-65-3 and 214346-13-1. Besides, it is beige solid, which is the third generation fluorinated quinolone antibacterial. In addition, its molecular formula is C18H20FN5O4.CH4SO3 and its molecular weight is 485.49.
The other characteristics of Gemifioxacin mesylate can be summarized as: (1)ACD/LogP: 0.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 9; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 87.57 Å2; (13)Flash Point: 340.2 °C; (14)Melting Point: 235-237 °C; (15)Enthalpy of Vaporization: 99.17 kJ/mol; (16)Boiling Point: 638.9 °C at 760 mmHg; (17)Vapour Pressure: 3.36E-17 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=S(=O)(O)C.Fc2c(nc1N(/C=C(/C(=O)O)C(=O)c1c2)C3CC3)N4C/C(=N\OC)C(C4)CN
(2)InChI: InChI=1/C18H20FN5O4.CH4O3S/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;1-5(2,3)4/h4,7,9-10H,2-3,5-6,8,20H2,1H3,(H,26,27);1H3,(H,2,3,4)/b22-14+
(3)InChIKey: JIYMVSQRGZEYAX-CWUUNJJBBB
(4)Std. InChI: InChI=1S/C18H20FN5O4.CH4O3S/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;1-5(2,3)4/h4,7,9-10H,2-3,5-6,8,20H2,1H3,(H,26,27);1H3,(H,2,3,4)/b22-14+
(5)Std. InChIKey: JIYMVSQRGZEYAX-CWUUNJJBSA-N