CHEBI:32169 - Sulpyrine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Sulpyrine
ChEBI ID CHEBI:32169
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C13H16N3O4S.Na
Net Charge 0
Average Mass 351.355
Monoisotopic Mass 351.08649
InChI InChI=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
InChIKey UNZIDPIPYUMVPA-UHFFFAOYSA-M
SMILES O.[Na+].CN(CS([O-])(=O)=O)c1c(C)n(C)n(-c2ccccc2)c1=O
ChEBI Ontology
Outgoing Sulpyrine (CHEBI:32169) is a organic molecular entity (CHEBI:50860)
Synonyms Sources
Dipyrone KEGG COMPOUND
Dipyrone monohydrate KEGG COMPOUND
Sulpyrine KEGG COMPOUND
Manual Xrefs Databases
C13229 KEGG COMPOUND
D01762 KEGG DRUG
View more database links
Registry Numbers Types Sources
5907-38-0 CAS Registry Number KEGG COMPOUND
68-89-3 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014