CHEBI:9537 - Thiamylal sodium

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Thiamylal sodium
ChEBI ID CHEBI:9537
Stars This entity has been manually annotated by a third party.
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Formulae C12H17N2NaO2S
C12H17N2O2S.Na
Net Charge 0
Average Mass 276.332
Monoisotopic Mass 276.09084
InChI InChI=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
InChIKey LYZGJWXNOGIVQA-UHFFFAOYSA-M
SMILES C1(C(NC([S-])=NC1=O)=O)(C(CCC)C)CC=C.[Na+]
ChEBI Ontology
Outgoing Thiamylal sodium (CHEBI:9537) is a pyrimidone (CHEBI:38337)
Synonyms Sources
Surital KEGG COMPOUND
Thiamylal sodium KEGG COMPOUND
Manual Xref Database
D00713 KEGG DRUG
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Registry Number Type Source
337-47-3 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017