CHEBI:6834 - methohexital sodium

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ChEBI Name methohexital sodium
ChEBI ID CHEBI:6834
Definition The sodium salt of methohexital.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C14H17N2NaO3
Net Charge 0
Average Mass 284.28610
Monoisotopic Mass 284.11369
InChI InChI=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
InChIKey KDXZREBVGAGZHS-UHFFFAOYSA-M
SMILES [Na+].CCC#CC(C)C1(CC=C)C(=O)N=C([O-])N(C)C1=O
Roles Classification
Application(s): intravenous anaesthetic

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ChEBI Ontology
Outgoing 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 Sources
methohexitone sodium ChemIDplus
sodium 5-allyl-1-methyl-5-(1-methyl-2- pentynyl)barbiturate ChemIDplus
sodium methohexital ChemIDplus
Brand Names Sources
Brevital ChemIDplus
Brevital sodium ChemIDplus
Brietal Sodium ChEBI
Manual Xrefs Databases
D00712 KEGG DRUG
DB00474 DrugBank
US2872448 Patent
View more database links
Registry Numbers Types Sources
309-36-4 CAS Registry Number KEGG DRUG
309-36-4 CAS Registry Number ChemIDplus
4284264 Reaxys Registry Number Reaxys
Last Modified
09 December 2010
General Comment
2010-12-09 Methohexital is a short-acting barbiturate-type general anaesthetic. Usually administered as the sodium salt, it is 2-3 times more potent than thiopental but has a shorter duration of action.