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CHEBI:62086 - metamizole(1−)

ChEBI IDCHEBI:62086
ChEBI Namemetamizole(1−)
Stars
ASCII Namemetamizole(1-)
DefinitionAn organosulfonate oxoanion resulting from the removal of a proton from the sulfonic acid group of metamizole.
Last Modified19 August 2022
SubmitterGareth Owen
DownloadsMolfile
FormulaC13H16N3O4S
Net Charge-1
Average Mass310.355
Monoisotopic Mass310.08670
SMILESCc1c(N(C)CS(=O)(=O)[O-])c(=O)n(-c2ccccc2)n1C
InChIInChI=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)/p-1
InChIKeyLVWZTYCIRDMTEY-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
metamizole(1−) (CHEBI:62086) is a organosulfonate oxoanion (CHEBI:33554)
metamizole(1−) (CHEBI:62086) is conjugate base of metamizole (CHEBI:62088)
Incoming Relation(s)
metamizole sodium (CHEBI:59033) has part metamizole(1−) (CHEBI:62086)
metamizole (CHEBI:62088) is conjugate acid of metamizole(1−) (CHEBI:62086)
IUPAC Name 
[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(methyl)amino]methanesulfonate
Synonyms  Source
[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]methanesulfonateChEBI
N-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)-N-methylaminomethanesulfonateChEBI
metamizole anionChEBI
(antipyrinylmethylamino)methanesulfonateChEBI
Manual XrefsDatabases
CPD-25194MetaCyc