Garenoxacin mesylate hydrate

C₂₄H₂₆F₂N₂O₈SCAS 223652-90-2540.53 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid Ether Secondary amine Sulfonic acid

Properties

Molecular formula: C₂₄H₂₆F₂N₂O₈S
Molar mass: 540.53 g/mol
Exact mass: 540.1378 Da
logP: 3.15Crippen estimate
Polar surface area: 166.4 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 5
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

223652-90-2

SMILES

CS(=O)(=O)O.C[C@H]1NCc2cc(-c3ccc4c(=O)c(C(=O)O)cn(C5CC5)c4c3OC(F)F)ccc21.O

InChIKey

IGTHEWGRXUAFKF-NVJADKKVSA-N

InChI

InChI=1S/C23H20F2N2O4.CH4O3S.H2O/c1-11-15-5-2-12(8-13(15)9-26-11)16-6-7-17-19(21(16)31-23(24)25)27(14-3-4-14)10-18(20(17)28)22(29)30;1-5(2,3)4;/h2,5-8,10-11,14,23,26H,3-4,9H2,1H3,(H,29,30);1H3,(H,2,3,4);1H2/t11-;;/m1../s1

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Names and synonyms

3 names

3-Quinolinecarboxylic acid, 1-cyclopropyl-8-(difluoromethoxy)-7-[(1R)-2,3-dihydro-1-methyl-1H-isoindol-5-yl]-1,4-dihydro-4-oxo-, methanesulfonate, hydrate (1:1:1)
3-Quinolinecarboxylic acid, 1-cyclopropyl-8-(difluoromethoxy)-7-[(1R)-2,3-dihydro-1-methyl-1H-isoindol-5-yl]-1,4-dihydro-4-oxo-, monomethanesulfonate, monohydrate
Geninax

Work with Garenoxacin mesylate hydrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Garenoxacin194804-75-685 % similar Gatifloxacin sesquihydrate180200-66-241 % similar Pazufloxacin methanesulfonate163680-77-141 % similar Danofloxacin mesylate119478-55-640 % similar 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid112811-72-040 % similar Gemifloxacin mesylate210353-53-039 % similar Moxifloxacin151096-09-239 % similar Ethyl 7-bromo-1-cyclopropyl-8-(difluoromethoxy)-1,4-dihydro-4-oxoquinoline-3-carboxylate194805-07-739 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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