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CHEBI:2379 - acebutolol
| Formula | C18H28N2O4 |
| Net Charge | 0 |
| Average Mass | 336.432 |
| Monoisotopic Mass | 336.20491 |
| SMILES | CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1 |
| InChI | InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23) |
| InChIKey | GOEMGAFJFRBGGG-UHFFFAOYSA-N |
| Wikipedia |
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| Roles Classification |
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| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | beta-adrenergic antagonist An agent that binds to but does not activate β-adrenergic receptors thereby blocking the actions of endogenous or exogenous β-adrenergic agonists. β-Adrenergic antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches and anxiety. sympathomimetic agent A drug that mimics the effects of stimulating postganglionic adrenergic sympathetic nerves. Included in this class are drugs that directly stimulate adrenergic receptors and drugs that act indirectly by provoking the release of adrenergic transmitters. |
| Applications: | beta-adrenergic antagonist An agent that binds to but does not activate β-adrenergic receptors thereby blocking the actions of endogenous or exogenous β-adrenergic agonists. β-Adrenergic antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches and anxiety. anti-arrhythmia drug A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres. sympathomimetic agent A drug that mimics the effects of stimulating postganglionic adrenergic sympathetic nerves. Included in this class are drugs that directly stimulate adrenergic receptors and drugs that act indirectly by provoking the release of adrenergic transmitters. antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| acebutolol (CHEBI:2379) has role anti-arrhythmia drug (CHEBI:38070) |
| acebutolol (CHEBI:2379) has role antihypertensive agent (CHEBI:35674) |
| acebutolol (CHEBI:2379) has role sympathomimetic agent (CHEBI:35524) |
| acebutolol (CHEBI:2379) has role β-adrenergic antagonist (CHEBI:35530) |
| acebutolol (CHEBI:2379) is a aromatic amide (CHEBI:62733) |
| acebutolol (CHEBI:2379) is a ethanolamines (CHEBI:23981) |
| acebutolol (CHEBI:2379) is a ether (CHEBI:25698) |
| acebutolol (CHEBI:2379) is a monocarboxylic acid amide (CHEBI:29347) |
| acebutolol (CHEBI:2379) is a propanolamine (CHEBI:35533) |
| acebutolol (CHEBI:2379) is a secondary amino compound (CHEBI:50995) |
| acebutolol (CHEBI:2379) is conjugate base of acebutolol(1+) (CHEBI:62101) |
| Incoming Relation(s) |
| acebutolol(1+) (CHEBI:62101) is conjugate acid of acebutolol (CHEBI:2379) |
| IUPAC Name |
|---|
| N-{3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}butanamide |
| INNs | Source |
|---|---|
| acebutolol | ChemIDplus |
| acebutololum | ChEBI |
| acetobutolol | ChemIDplus |
| Synonyms | Source |
|---|---|
| Acebutolol | KEGG COMPOUND |
| N-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]butanamide | NIST Chemistry WebBook |
| N-(3-acetyl-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl)butanamide | NIST Chemistry WebBook |
| (±)-acebutolol | ChemIDplus |
| 5'-butyramido-2'-(2-hydroxy-3-isopropylaminopropoxy)acetophenone | ChemIDplus |
| 3'-acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)butyranilide | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Beilstein:2162244 | Beilstein |
| Gmelin:2179873 | Gmelin |
| CAS:37517-30-9 | KEGG COMPOUND |
| CAS:37517-30-9 | NIST Chemistry WebBook |
| CAS:37517-30-9 | ChemIDplus |
| Citations |
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