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CHEBI:102524 - butalbital
| Formula | C11H16N2O3 |
| Net Charge | 0 |
| Average Mass | 224.260 |
| Monoisotopic Mass | 224.11609 |
| SMILES | C=CCC1(CC(C)C)C(=O)NC(=O)NC1=O |
| InChI | InChI=1S/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16) |
| InChIKey | UZVHFVZFNXBMQJ-UHFFFAOYSA-N |
| Wikipedia |
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| Roles Classification |
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| Biological Roles: | analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. 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: | analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. 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) |
| butalbital (CHEBI:102524) has functional parent barbituric acid (CHEBI:16294) |
| butalbital (CHEBI:102524) has role analgesic (CHEBI:35480) |
| butalbital (CHEBI:102524) has role sedative (CHEBI:35717) |
| butalbital (CHEBI:102524) is a barbiturates (CHEBI:22693) |
| IUPAC Name |
|---|
| 5-(2-methylpropyl)-5-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione |
| INNs | Source |
|---|---|
| butalbital | ChemIDplus |
| butalbitalum | ChemIDplus |
| Synonyms | Source |
|---|---|
| 5-(2-methylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione | ChEBI |
| 5-allyl-5-(2'-methyl-n-propyl) barbituric acid | ChemIDplus |
| 5-allyl-5-(2-methylpropyl)barbituric acid | NIST Chemistry WebBook |
| 5-allyl-5-isobutyl-2,4,6(1H,3H,5H)-pyrimidinetrione | NIST Chemistry WebBook |
| 5-allyl-5-isobutylbarbituric acid | ChemIDplus |
| 5-Allyl-5-isobutyl-pyrimidine-2,4,6-trione | ChEMBL |
| Manual Xrefs | Databases |
|---|---|
| 441 | DrugCentral |
| Butalbital | Wikipedia |
| D03182 | KEGG DRUG |
| DB00241 | DrugBank |
| HMDB0014386 | HMDB |
| LSM-5793 | LINCS |
| Citations |
|---|