CHEBI:31252 - 5,5-diethylbarbituric acid

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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 0
Average Mass 184.19256
Monoisotopic Mass 184.085
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): 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 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
Manual Xrefs Databases
289 DrugCentral
Barbital Wikipedia
D01740 KEGG DRUG
DB01483 DrugBank
View more database links
Registry Numbers Types Sources
163999 Reaxys Registry Number Reaxys
163999 Beilstein Registry Number Beilstein
4113 Gmelin Registry Number Gmelin
57-44-3 CAS Registry Number NIST Chemistry WebBook
57-44-3 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10866370 PubMed citation ChEMBL
15857133 PubMed citation ChEMBL
17827020 PubMed citation ChEMBL
20681553 PubMed citation Europe PMC
22467201 PubMed citation Europe PMC
3654008 PubMed citation Europe PMC
6864729 PubMed citation ChEMBL
Last Modified
22 February 2017