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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: | neuroprotective agent Any compound that can be used for the treatment of neurodegenerative disorders. anticonvulsant A drug used to prevent seizures or reduce their severity. ophthalmology drug Any compound used for the treatment of eye conditions or eye diseases. drug allergen Any drug which causes the onset of an allergic reaction. 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. |
| 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 neuroprotective agent (CHEBI:63726) |
| thiopental (CHEBI:102166) has role ophthalmology drug (CHEBI:66981) |
| 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 |
|---|---|
| 2-Thio-5-ethyl-5-sec-pentylbarbituric acid | ChemIDplus |
| 5-Ethyl-5-(1-methyl-butyl)-2-thioxo-dihydro-pyrimidine-4,6-dione | ChEMBL |
| Penthiobarbital | ChemIDplus |
| Pentothiobarbital | ChemIDplus |
| (±)-thiopental | ChemIDplus |
| Thiopental | KEGG COMPOUND |
| Citations |
|---|