CHEBI:5706 - hexobarbital

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ChEBI Name hexobarbital
ChEBI ID CHEBI:5706
Definition A member of the class of barbiturates taht is barbituric acid substituted at N-1 by methyl and at C-5 by methyl and cyclohex-1-enyl groups.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:102367
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Formula C12H16N2O3
Net Charge 0
Average Mass 236.26712
Monoisotopic Mass 236.116
InChI InChI=1S/C12H16N2O3/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16/h6H,3-5,7H2,1-2H3,(H,13,15,17)
InChIKey UYXAWHWODHRRMR-UHFFFAOYSA-N
SMILES CN1C(=O)NC(=O)C(C)(C1=O)C1=CCCCC1
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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing hexobarbital (CHEBI:5706) has functional parent barbituric acid (CHEBI:16294)
hexobarbital (CHEBI:5706) is a barbiturates (CHEBI:22693)
IUPAC Name
5-(cyclohex-1-en-1-yl)-1,5-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Synonyms Sources
5-(1-cyclohexen-1-yl)-1,5-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione NIST Chemistry WebBook
5-(1-cyclohexen-1-yl)-1,5-dimethylbarbituric acid NIST Chemistry WebBook
5-Cyclohex-1-enyl-1,5-dimethyl-pyrimidine-2,4,6-trione ChEMBL
Evipan ChemIDplus
Hexobarbital KEGG COMPOUND
Hexobarbitone KEGG COMPOUND
methexenyl ChemIDplus
methylhexabital ChemIDplus
Database Links Databases
1369 DrugCentral
C11723 KEGG COMPOUND
D01071 KEGG DRUG
DB01355 DrugBank
Hexobarbital Wikipedia
HMDB15444 HMDB
View more database links
Registry Numbers Types Sources
253102 Reaxys Registry Number Reaxys
253102 Beilstein Registry Number Beilstein
282233 Gmelin Registry Number Gmelin
56-29-1 CAS Registry Number KEGG COMPOUND
56-29-1 CAS Registry Number ChemIDplus
56-29-1 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
10891117 PubMed citation ChEMBL
1153616 PubMed citation Europe PMC
15577260 PubMed citation Europe PMC
15857133 PubMed citation ChEMBL
1680178 PubMed citation Europe PMC
18870124 PubMed citation Europe PMC
19863908 PubMed citation Europe PMC
3654008 PubMed citation Europe PMC
6864729 PubMed citation ChEMBL
7614008 PubMed citation Europe PMC
8255925 PubMed citation Europe PMC
9586853 PubMed citation Europe PMC
Last Modified
22 February 2017