Aprobarbital

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

ID: Reference2900

Other Names: 5-(Propan-2-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione;
Allional;
Allonal;
Allylpropymal;
Allypropymal ; more

Formula: C10H14N2O3

Class: Therapeutics/Prescription Drugs Sports Doping Drugs Drugs of Abuse/Illegal Drugs

Spectral Data

Aprobarbital 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
No. of Spectral Trees 1
No. of Spectra 159
Tandem Spectra MS1, MS2
Ionization Methods APCI
Analyzers FT
Last Modification 7/14/2015 6:14:28 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C10H14N2O3/c1-4-5-10(6(2)3)7(13)11-9(15)12-8(10)14/h4,6H,1,5H2,2-3H3,(H2,11,12,13,14,15)
InChI Key UORJNBVJVRLXMQ-UHFFFAOYSA-N
Canonical SMILES CC(C)C1(C(=O)NC(=O)NC1=O)CC=C
CAS 77021
Splash
Other Names 5-(Propan-2-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione;
Allional;
Allonal;
Allylpropymal;
Allypropymal;
Allypropymalum;
Alurate elixir verdum;
Aprobarbita;
Aprobarbitone;
Aprozal;
Numal;
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylethyl)-5-(2-propenyl)-;
5-(1-Methylethyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione;
5-(1-Methylethyl)-5-prop-2-en-1-ylpyrimidine-2,4,6(1H,3H,5H)-trione;
5-(Methylethyl)-5-prop-2-enyl-1,3,5-trihydropyrimidine-2,4,6-trione;
5-Allyl-5-isopropyl-2,4,6(1H,3H,5H)-pyrimidinetrione;
5-Allyl-5-isopropylbarbiturate;
5-Allyl-5-isopropylbarbituric acid;
5-Allyl-5-isopropylpyrimidine-2,4,6(1H,3H,5H)-trione;
5-Isopropyl-5-allylbarbituric acid;
Allylisopropylbarbituric acid;
Allylisopropylmalonylurea;
Barbituric acid, 5-allyl-5-isopropyl-;
Isopropylallylbarbituric acid

In Other Databases

PubChem 6464
KEGG C07826; D00698
Wikipedia Aprobarbital
ChemIDPlus 000077021; 000125882
HMDb HMDB15441
ChemSpider 6221
ChEBI CHEBI:2791
DrugBank DB01352