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CHEBI:2791 - aprobarbital

ChEBI IDCHEBI:2791
ChEBI Nameaprobarbital
Stars
DefinitionA 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.
Last Modified22 February 2017
DownloadsMolfile
FormulaC10H14N2O3
Net Charge0
Average Mass210.233
Monoisotopic Mass210.10044
SMILESC=CCC1(C(C)C)C(=O)NC(=O)NC1=O
InChIInChI=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)
InChIKeyUORJNBVJVRLXMQ-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
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.
Application:
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.
ChEBI Ontology
Outgoing Relation(s)
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  Source
5-(1-methylethyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrioneNIST Chemistry WebBook
5-allyl-5-isopropylbarbituric acidNIST Chemistry WebBook
5-allyl-5-isopropylpyrimidine-2,4,6(1H,3H,5H)-trioneIUPAC
5-isopropyl-5-allylbarbituric acidNIST Chemistry WebBook
AllypropymalChemIDplus
AlurateChEBI
Manual XrefsDatabases
232DrugCentral
AprobarbitalWikipedia
C07826KEGG COMPOUND
D00698KEGG DRUG
DB01352DrugBank
HMDB0015441HMDB
Registry NumbersSources
Reaxys:180858Reaxys
Gmelin:281329Gmelin
CAS:77-02-1NIST Chemistry WebBook
CAS:77-02-1ChemIDplus
CAS:77-02-1KEGG COMPOUND
Citations