CHEBI:62086 - metamizole(1−)

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ChEBI Name metamizole(1−) ChEBI ID CHEBI:62086 ChEBI ASCII Name metamizole(1-) Definition An organosulfonate oxoanion resulting from the removal of a proton from the sulfonic acid group of metamizole. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C13H16N3O4S Net Charge -1 Average Mass 310.34900 Monoisotopic Mass 310.08670 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)/p-1 InChIKey LVWZTYCIRDMTEY-UHFFFAOYSA-M SMILES CN(CS([O-])(=O)=O)c1c(C)n(C)n(-c2ccccc2)c1=O ChEBI Ontology Outgoing metamizole(1−) (CHEBI:62086) is a organosulfonate oxoanion (CHEBI:33554) metamizole(1−) (CHEBI:62086) is conjugate base of metamizole (CHEBI:62088) Incoming 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 Sources (antipyrinylmethylamino)methanesulfonate ChEBI [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]methanesulfonate ChEBI metamizole anion ChEBI N-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)-N-methylaminomethanesulfonate ChEBI Manual Xref Database CPD-25194 MetaCyc View more database links Last Modified 19 August 2022