Methohexital

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Systematic / IUPAC Name: 5-Hex-3-yn-2-yl-1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione

ID: Reference799

Other Names: 5-Allyl-5-(3-hexyn-2-yl)-1-methylbarbituric acid;
5-Allyl-1-methyl-5-(1-methyl-pent-2-ynyl)-pyrimidine-2,4,6-trione;
Barbituric acid, 5-allyl-1-methyl-5-(1-methyl-2-pentynyl)-;
1-Methyl-5-(1-methylpent-2-yn-1-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione;
Methohexitone ; more

Formula: C14H18N2O3

Class: Therapeutics/Prescription Drugs

Spectral Data

Methohexital mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 107
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/10/2015 2:44:08 PM
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Identificators

InChI InChI=1S/C14H18N2O3/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)
InChI Key NZXKDOXHBHYTKP-UHFFFAOYSA-N
Canonical SMILES CCC#CC(C)C1(C(=O)NC(=O)N(C1=O)C)CC=C
CAS 115621335
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Other Names 5-Allyl-5-(3-hexyn-2-yl)-1-methylbarbituric acid;
5-Allyl-1-methyl-5-(1-methyl-pent-2-ynyl)-pyrimidine-2,4,6-trione;
Barbituric acid, 5-allyl-1-methyl-5-(1-methyl-2-pentynyl)-;
1-Methyl-5-(1-methylpent-2-yn-1-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione;
Methohexitone;
Brevital;
Brietal;
Methodrexitone;
Enallynymall;
Enallynymalum

In Other Databases

KEGG C07844; D00712; D04985
Wikipedia Methohexital
ChemIDPlus 000151837; 000309364; 018652932
ChEMBL CHEMBL7413
DrugBank APRD00058
PubChem 9034
ChemSpider 8683
ChEBI CHEBI:102216