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Metamizole
SpectraBase Compound ID 3wEL4xS9bL3
InChI InChI=1S/C13H17N3O4S/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,18,19,20)
InChIKey LVWZTYCIRDMTEY-UHFFFAOYSA-N
Mol Weight 311.36 g/mol
Molecular Formula C13H17N3O4S
Exact Mass 311.093977 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ybAMSWGy21
Name ((2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino)methanesulphonic acid
CAS Registry Number 50567-35-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17N3O4S
InChI InChI=1S/C13H17N3O4S/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,18,19,20)
InChIKey LVWZTYCIRDMTEY-UHFFFAOYSA-N
Molecular Weight 311.356 g/mol
SMILES OS(CN(C=1C(N(c2ccccc2)N(C1C)C)=O)C)(=O)=O
SPLASH splash10-00di-2930000000-ee52739b09861153f587
Source of Spectrum CJ-1992-0-0
Synonyms [(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(methyl)amino]methanesulfonic acid Dipyrone Metamizol Metamizolum Methanesulfonic acid, [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]- N-Methyl-N-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)aminomethanesulfosaeure [(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-methyl-amino]methanesulfonic acid [(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-methylamino]methanesulfonic acid [(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-methyl-amino]methanesulfonic acid [(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-methyl-amino]methanesulfonic acid EINECS 256-627-7
Wiley ID 1312243