hexobarbital (CHEBI:5706)

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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

Average Mass

236.26712

Monoisotopic Mass

236.11609

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 )

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

Last Modified

22 February 2017