CAS No.210353-53-0,Gemifioxacin mesylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	210353-53-0
Name:	Gemifioxacin mesylate
Article Data:	9

Formula:	C₁₈H₂₀FN₅O₄^.CH₄SO₃
Molecular Weight:	485.493
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;
EINECS:	1312995-182-4
Melting Point:	235-237 °C
Boiling Point:	638.9 °C at 760 mmHg
Flash Point:	340.2 °C
Appearance:	beige solid
Safety:	24/25
PSA:	185.79000
LogP:	2.31610

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Specification

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