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CHEBI:9537 - Thiamylal sodium

ChEBI IDCHEBI:9537
ChEBI NameThiamylal sodium
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC12H17N2O2S.Na
Net Charge0
Average Mass276.337
Monoisotopic Mass276.09084
SMILESC=CCC1(C(C)CCC)C(=O)N=C([S-])NC1=O.[Na+]
InChIInChI=1S/C12H18N2O2S.Na/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16;/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17);/q;+1/p-1
InChIKeyLYZGJWXNOGIVQA-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
Thiamylal sodium (CHEBI:9537) is a pyrimidone (CHEBI:38337)
Synonyms  Source
Thiamylal sodiumKEGG COMPOUND
SuritalKEGG COMPOUND
Manual XrefsDatabases
D00713KEGG DRUG
Registry NumbersSources
CAS:337-47-3KEGG COMPOUND