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Flucloxacilline

Compound with spectra: 1 NMR, and 2 MS (GC)

Flucloxacilline
SpectraBase Compound ID 1S5CCNLCwdN
InChI InChI=1S/C19H17ClFN3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)
InChIKey UIOFUWFRIANQPC-UHFFFAOYSA-N
Mol Weight 453.87 g/mol
Molecular Formula C19H17ClFN3O5S
Exact Mass 453.056148 g/mol

View Spectrum of Flucloxacilline

MS (GC) Spectrum
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS

View Spectrum of Flucloxacilline

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum CJ-0-19-1225

View Spectrum of Flucloxacilline

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent D2O
  • Flucloxacillin
Flucloxacillin
(2S,6R)-6-[[3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carbonyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Cloxacillin anion
sodium 6-{2-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-2-oxoethyl}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Cloxacillin sodium salt hydrate
NA-CLOXACILLIN
Cloxacillin
3,3-dimethyl-6-(5-methyl-3-phenyl-4-isoxazolecarboxamido)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, sodium salt, hydrate
6N-BENZOYL-9-[5-DEOXY-5-(2-HYDROXYETHYLTHIO)-2-O-METHYL-3-O-DIETHYLPHOPSPHORYL-ALPHA-L-LYXO-FURANOSYL]-ADENINE
6-[2-[2-(2-HYDROXYETHYLCARBAMOYL)-3,6-DIOXOCYCLOHEXA-1,4-DIENYLAMINO]-2-(4-HYDROXYPHENYL)-ACETYLAMINO]-PENICILLANIC-ACID
3-o-fluorobenzyl-4,5-dimethyl-4-hydroxy-7-methylsulfonyl-8-cyano-3,4-dihydropyrido[4,3-d]pyrimidine

This compound is available in the following databases:

Maurer, Meyer, Pfleger, Weber: GC-MS Library of Drugs, Poisons, and Their Metabolites 6th Edition
Author: Hans H. Maurer, Markus Meyer, Karl Pfleger, Armin A. Weber

Identification of trace drugs, poisons, and pollutants requires broad coverage of specific compound classes: metabolites, acetylated, methylated, trimethylsilylated, trifluoroacetylated, pentafluoropropionylated, and heptafluorobutyrylated compounds. Learn more.

Maurer, Meyer, Helfer, Weber: LC-HR-MS & MS Library of Drugs, Poisons, and Their Metabolites
Author: Hans H. Maurer, Markus Meyer, Andreas G. Helfer, Armin A. Weber

Developed by toxicologist Hans H. Maurer and his team, the Maurer/Meyer/Helfer/Weber LC-HR-MS/MS Library of Drugs, Poisons, and Their Metabolites consists of spectra for parent drugs or poisons, and their metabolites or artifacts, in various compound classification groups. This metabolite-based library helps minimize the risk of false negative LC-MS results. Learn more.

Flucloxacillin
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