2095-03-6 Purity
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Specification
The molecular formula of Gemifioxacin mesylate is C19H24FN5O7S.
The molecular weight of Gemifioxacin mesylate is 485.5 g/mol.
The IUPAC name of Gemifioxacin mesylate is 7-[(4E)-3-(aminomethyl)-4-methoxyiminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;methanesulfonic acid.
The InChI of Gemifioxacin mesylate is 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-.
The InChIKey of Gemifioxacin mesylate is JIYMVSQRGZEYAX-YDHFHHHVSA-N.
The canonical SMILES of Gemifioxacin mesylate is CON=C1CN(CC1CN)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F.CS(=O)(=O)O.
The isomeric SMILES of Gemifioxacin mesylate is CO/N=C\1/CN(CC1CN)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F.CS(=O)(=O)O.
Gemifioxacin mesylate has 3 hydrogen bond donor counts.
Gemifioxacin mesylate has 13 hydrogen bond acceptor counts.
Gemifioxacin mesylate has 5 rotatable bond counts.