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CHEBI:6834 - methohexital sodium

ChEBI IDCHEBI:6834
ChEBI Namemethohexital sodium
Stars
DefinitionThe sodium salt of methohexital.
Last Modified9 December 2010
DownloadsMolfile
FormulaC14H17N2O3.Na
Net Charge0
Average Mass284.291
Monoisotopic Mass284.11369
SMILESC=CCC1(C(C)C#CCC)C(=O)N=C([O-])N(C)C1=O.[Na+]
InChIInChI=1S/C14H18N2O3.Na/c1-5-7-8-10(3)14(9-6-2)11(17)15-13(19)16(4)12(14)18;/h6,10H,2,5,9H2,1,3-4H3,(H,15,17,19);/q;+1/p-1
InChIKeyKDXZREBVGAGZHS-UHFFFAOYSA-M
Roles Classification
Application:
ChEBI Ontology
Outgoing Relation(s)
methohexital sodium (CHEBI:6834) has part methohexital(1−) (CHEBI:60792)
methohexital sodium (CHEBI:6834) has role intravenous anaesthetic (CHEBI:38877)
methohexital sodium (CHEBI:6834) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
sodium 5-(hex-3-yn-2-yl)-1-methyl-4,6-dioxo-5-(prop-2-en-1-yl)-1,4,5,6-tetrahydropyrimidin-2-olate
Synonyms  Source
sodium 5-allyl-1-methyl-5-(1-methyl-2- pentynyl)barbiturateChemIDplus
sodium methohexitalChemIDplus
methohexitone sodiumChemIDplus
Brand Names  Source
BrevitalChemIDplus
Brevital sodiumChemIDplus
Brietal SodiumChEBI
Manual XrefsDatabases
D00712KEGG DRUG
DB00474DrugBank
US2872448Patent
Registry NumbersSources
Reaxys:4284264Reaxys
CAS:309-36-4KEGG DRUG
CAS:309-36-4ChemIDplus