chempirical

Levofloxacin mesylate

C19H24FN3O7SCAS 226578-51-4457.47 g/mol

Open in Covalent MOL file
ONONNFOHOSOOOH
Aryl halideCarboxylic acidEtherSulfonic acidTertiary amine

Properties

Molecular formula
C19H24FN3O7S
Molar mass
457.47 g/mol
Exact mass
457.1319 Da
logP
1.05Crippen estimate
Polar surface area
129.4 Ų
H-bond donors / acceptors
2 / 7
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
226578-51-4
SMILES
C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O.CS(=O)(=O)O
InChIKey
ZSPLOATUDIRNAS-PPHPATTJSA-N
InChI
InChI=1S/C18H20FN3O4.CH4O3S/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21;1-5(2,3)4/h7-8,10H,3-6,9H2,1-2H3,(H,24,25);1H3,(H,2,3,4)/t10-;/m0./s1

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Work with Levofloxacin mesylate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-(2,4-Difluorophenyl)-2,3-epoxy-1-(1H-1,2,4-triazol-1-yl)propane methanesulfonate salt86386-77-8Salt 2-[4-[(4-Nitrophenyl)methoxy]phenyl]ethyl carbamimidothioate methanesulfonate (1:1)182004-65-5Salt [(2R)-1-[(2S)-2-Amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic acid mesylate150080-09-4Salt 1-Ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid149676-40-4Salt 2-Azabicyclo[3.1.0]hexane-3-carboxamide, (1S,3S,5S)-, methanesulfonate (1:1)709031-45-8Salt 1-Butyl-3-methylimidazolium methanesulfonate342789-81-5Salt 2,3-Butanediol, 2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3R)-, methanesulfonate (1:1)1175536-50-1Salt

Similar compounds

1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[(4ar,7ar)-octahydro-6H-pyrrolo[3,4-B]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid268545-13-747 % similar 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid112811-72-044 % similar 1-Cyclopropyl-6,8-difluoro-1,4-dihydro-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid151213-15-943 % similar 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-hydroxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid721970-36-141 % similar 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid93107-30-338 % similar 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid ethyl ester112811-71-932 % similar

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

Elsewhere

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