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CHEBI:102166 - thiopental
| Formula | C11H18N2O2S |
| Net Charge | 0 |
| Average Mass | 242.344 |
| Monoisotopic Mass | 242.10890 |
| SMILES | CCCC(C)C1(CC)C(=O)NC(=S)NC1=O |
| InChI | InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16) |
| InChIKey | IUJDSEJGGMCXSG-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. |
| Biological Roles: | drug allergen Any drug which causes the onset of an allergic reaction. xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. 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: | sedative A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety. drug allergen Any drug which causes the onset of an allergic reaction. anticonvulsant A drug used to prevent seizures or reduce their severity. 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) |
| thiopental (CHEBI:102166) has functional parent 2-thiobarbituric acid (CHEBI:33202) |
| thiopental (CHEBI:102166) has role anticonvulsant (CHEBI:35623) |
| thiopental (CHEBI:102166) has role drug allergen (CHEBI:88188) |
| thiopental (CHEBI:102166) has role environmental contaminant (CHEBI:78298) |
| thiopental (CHEBI:102166) has role intravenous anaesthetic (CHEBI:38877) |
| thiopental (CHEBI:102166) has role sedative (CHEBI:35717) |
| thiopental (CHEBI:102166) has role xenobiotic (CHEBI:35703) |
| thiopental (CHEBI:102166) is a barbiturates (CHEBI:22693) |
| thiopental (CHEBI:102166) is conjugate acid of thiopental(1−) (CHEBI:61485) |
| Incoming Relation(s) |
| thiopental(1−) (CHEBI:61485) is conjugate base of thiopental (CHEBI:102166) |
| IUPAC Name |
|---|
| 5-ethyl-5-(pentan-2-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione |
| Synonyms | Source |
|---|---|
| Thiopental | KEGG COMPOUND |
| 5-Ethyl-5-(1-methyl-butyl)-2-thioxo-dihydro-pyrimidine-4,6-dione | ChEMBL |
| Thiopentone | ChemIDplus |
| (±)-thiopental | ChemIDplus |
| 2-Thio-5-ethyl-5-sec-pentylbarbituric acid | ChemIDplus |
| Penthiobarbital | ChemIDplus |
| Citations |
|---|