5,5-diethylbarbituric acid (CHEBI:31252)

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ChEBI Name	5,5-diethylbarbituric acid

ChEBI ID	CHEBI:31252

Definition	A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by two ethyl groups. Formerly used as a hypnotic (sleeping aid).

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:102256

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Formula

C8H12N2O3

Net Charge

Average Mass

184.19256

Monoisotopic Mass

184.08479

InChI

InChI=1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)

InChIKey

FTOAOBMCPZCFFF-UHFFFAOYSA-N

SMILES

CCC1(CC)C(=O)NC(=O)NC1=O

Roles Classification
Biological Role(s):	drug allergen Any drug which causes the onset of an allergic reaction. 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):	drug allergen Any drug which causes the onset of an allergic reaction. 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 )

ChEBI Ontology
Outgoing	5,5-diethylbarbituric acid (CHEBI:31252) has role drug allergen (CHEBI:88188) 5,5-diethylbarbituric acid (CHEBI:31252) is a barbiturates (CHEBI:22693)

IUPAC Name

5,5-diethylpyrimidine-2,4,6(1H,3H,5H)-trione

Synonyms	Sources
2,4,6(1H,3H,5H)-pyrimidinetrione	NIST Chemistry WebBook
5,5-Diethyl-pyrimidine-2,4,6-trione	ChEMBL
5,5-diethylbarbituric acid	NIST Chemistry WebBook
5,5-diethylpyrimidine-2,4,6(1H,3H,5H)-trione	ChEMBL
Barbital	KEGG COMPOUND
Barbitone	ChemIDplus
DEBA	ChemIDplus
diethylmalonyl urea	ChEBI
Veronal	NIST Chemistry WebBook

Last Modified

07 March 2019