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CHEBI:32169 - Sulpyrine

Default Structure
ChEBI IDCHEBI:32169
ChEBI NameSulpyrine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC13H16N3O4S.H2O.Na
Net Charge0
Average Mass351.360
Monoisotopic Mass351.08649
SMILESCc1c(N(C)CS(=O)(=O)[O-])c(=O)n(-c2ccccc2)n1C.O.[Na+]
InChIInChI=1S/C13H17N3O4S.Na.H2O/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);;1H2/q;+1;/p-1
InChIKeyUNZIDPIPYUMVPA-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
Sulpyrine (CHEBI:32169) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
DipyroneKEGG COMPOUND
Dipyrone monohydrateKEGG COMPOUND
SulpyrineKEGG COMPOUND
Manual XrefsDatabases
C13229KEGG COMPOUND
D01762KEGG DRUG
Registry NumbersSources
CAS:5907-38-0KEGG COMPOUND
CAS:68-89-3KEGG COMPOUND