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CHEBI:9073 - secobarbital
| Formula | C12H18N2O3 |
| Net Charge | 0 |
| Average Mass | 238.287 |
| Monoisotopic Mass | 238.13174 |
| SMILES | C=CCC1(C(C)CCC)C(=O)NC(=O)NC1=O |
| InChI | InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17) |
| InChIKey | KQPKPCNLIDLUMF-UHFFFAOYSA-N |
| Wikipedia |
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| Roles Classification |
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| Biological Roles: | 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. 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. |
| Applications: | anaesthesia adjuvant Any substance that possesses little anaesthetic effect by itself, but which enhances or potentiates the anaesthetic action of other drugs when given at the same time. sedative A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety. 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. 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) |
| secobarbital (CHEBI:9073) has functional parent barbituric acid (CHEBI:16294) |
| secobarbital (CHEBI:9073) has role anaesthesia adjuvant (CHEBI:60807) |
| secobarbital (CHEBI:9073) has role GABA modulator (CHEBI:50268) |
| secobarbital (CHEBI:9073) has role sedative (CHEBI:35717) |
| secobarbital (CHEBI:9073) is a barbiturates (CHEBI:22693) |
| secobarbital (CHEBI:9073) is conjugate acid of secobarbital(1−) (CHEBI:60810) |
| Incoming Relation(s) |
| secobarbital(1−) (CHEBI:60810) is conjugate base of secobarbital (CHEBI:9073) |
| IUPAC Name |
|---|
| 5-(pentan-2-yl)-5-(prop-2-en-1-yl)-pyrimidine-2,4,6(1H,3H,5H)-trione |
| INNs | Source |
|---|---|
| secobarbital | ChemIDplus |
| secobarbitalum | ChemIDplus |
| Synonyms | Source |
|---|---|
| 5-(1-methylbutyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione | ChemIDplus |
| 5-allyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione | NIST Chemistry WebBook |
| 5-allyl-5-(1-methylbutyl)barbituric acid | NIST Chemistry WebBook |
| 5-allyl-5-(1-methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione | IUPAC |
| quinalbarbitone | ChEBI |
| (rs)-secobarbital | ChEMBL |
| Manual Xrefs | Databases |
|---|---|
| 2428 | DrugCentral |
| D00430 | KEGG DRUG |
| DB00418 | DrugBank |
| HMDB0014562 | HMDB |
| Secobarbital | Wikipedia |
| Citations |
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