Molecular Identity
Metamizole
[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonic acid
PubChem CID: 3111
Metamizole is a pyrazole that is antiipyrine substituted at C-4 by a methyl(sulfomethyl)amino group, the sodium salt of which, metamizole sodium, was widely used as a powerful analgesic and antipyretic, but withdrawn from many markets from the 1970s due to a risk of causing risk of causing agranulocytosis. It has a role as a non-narcotic analgesic, an antipyretic, an antirheumatic drug, a peripheral nervous system drug, a prodrug, an anti-inflammatory agent and a cyclooxygenase 3 inhibitor. It is a member of pyrazoles and an amino sulfonic acid. It is functionally related to an antipyrine. It is a conjugate acid of a metamizole(1-).
2D Structure
Properties
C13H17N3O4S
Molecular Formula
311.36
Molecular Weight
g/mol
311.0940
Exact Mass
Da
0
XLogP
Drug-like (Lipinski: < 5)
89.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
546
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
MetamizoleMetamizol50567-35-6MethamizoleNovamine sulfoneMETHAMIZOLE-UNII-934T64RMNJ934T64RMNJ(antipyrinylmethylamino)methanesulfonic acidMethanesulfonic acid, (antipyrinylmethylamino)-EINECS 256-627-7[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(methyl)amino]methanesulfonic acidDTXSID6044143CHEBI:62088N-Methyl-N-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)aminomethanesulfosaeure
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Metamizole
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