CHEBI:2791 - aprobarbital

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ChEBI Name aprobarbital
ChEBI ID CHEBI:2791
Definition A member of the class of barbiturates that is pyrimidine-2,4,6(1H,3H,5H)-trione substituted by an isopropyl and a prop-1-en-3-yl group at position 5.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C10H14N2O3
Net Charge 0
Average Mass 210.22984
Monoisotopic Mass 210.10044
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)
InChIKey UORJNBVJVRLXMQ-UHFFFAOYSA-N
SMILES CC(C)C1(CC=C)C(=O)NC(=O)NC1=O
Roles Classification
Biological Role(s): GABA modulator
A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act.
(via barbiturates )
Application(s): GABA modulator
A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act.
(via barbiturates )
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ChEBI Ontology
Outgoing aprobarbital (CHEBI:2791) is a barbiturates (CHEBI:22693)
IUPAC Name
5-(propan-2-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
Synonyms Sources
5-(1-methylethyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione NIST Chemistry WebBook
5-allyl-5-isopropylbarbituric acid NIST Chemistry WebBook
5-allyl-5-isopropylpyrimidine-2,4,6(1H,3H,5H)-trione IUPAC
5-isopropyl-5-allylbarbituric acid NIST Chemistry WebBook
Allypropymal ChemIDplus
Alurate ChEBI
Aprobarbital KEGG COMPOUND
Manual Xrefs Databases
232 DrugCentral
Aprobarbital Wikipedia
C07826 KEGG COMPOUND
D00698 KEGG DRUG
DB01352 DrugBank
HMDB0015441 HMDB
View more database links
Registry Numbers Types Sources
180858 Reaxys Registry Number Reaxys
180858 Beilstein Registry Number Beilstein
281329 Gmelin Registry Number Gmelin
77-02-1 CAS Registry Number ChemIDplus
77-02-1 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
5034548 PubMed citation Europe PMC
8313534 PubMed citation Europe PMC
Last Modified
22 February 2017