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CHEBI:59167 - bambuterol hydrochloride
| Formula | C18H29N3O5.HCl |
| Net Charge | 0 |
| Average Mass | 403.907 |
| Monoisotopic Mass | 403.18740 |
| SMILES | CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(C(O)CNC(C)(C)C)c1.Cl |
| InChI | InChI=1S/C18H29N3O5.ClH/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7;/h8-10,15,19,22H,11H2,1-7H3;1H |
| InChIKey | LBARATORRVNNQM-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | EC 3.1.1.7 (acetylcholinesterase) inhibitor An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of enzyme acetylcholinesterase (EC 3.1.1.7), which helps breaking down of acetylcholine into choline and acetic acid. beta-adrenergic agonist An agent that selectively binds to and activates β-adrenergic receptors. 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 agonist An agent that selectively binds to and activates β-adrenergic receptors. anti-asthmatic drug A drug used to treat asthma. bronchodilator agent An agent that causes an increase in the expansion of a bronchus or bronchial tubes. 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. prodrug A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| bambuterol hydrochloride (CHEBI:59167) has part bambuterol (CHEBI:553827) |
| bambuterol hydrochloride (CHEBI:59167) has role anti-asthmatic drug (CHEBI:49167) |
| bambuterol hydrochloride (CHEBI:59167) has role bronchodilator agent (CHEBI:35523) |
| bambuterol hydrochloride (CHEBI:59167) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462) |
| bambuterol hydrochloride (CHEBI:59167) has role prodrug (CHEBI:50266) |
| bambuterol hydrochloride (CHEBI:59167) has role sympathomimetic agent (CHEBI:35524) |
| bambuterol hydrochloride (CHEBI:59167) has role β-adrenergic agonist (CHEBI:35522) |
| bambuterol hydrochloride (CHEBI:59167) is a carbamate ester (CHEBI:23003) |
| bambuterol hydrochloride (CHEBI:59167) is a hydrochloride (CHEBI:36807) |
| bambuterol hydrochloride (CHEBI:59167) is a phenylethanolamines (CHEBI:25990) |
| Incoming Relation(s) |
| (R)-bambuterol hydrochloride (CHEBI:59182) is a bambuterol hydrochloride (CHEBI:59167) |
| (S)-bambuterol hydrochloride (CHEBI:59183) is a bambuterol hydrochloride (CHEBI:59167) |
| IUPAC Name |
|---|
| 5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diyl bis(dimethylcarbamate) hydrochloride |
| Synonym | Source |
|---|---|
| bambuterol HCl | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Beilstein:9451479 | Beilstein |
| CAS:81732-46-9 | KEGG DRUG |
| CAS:81732-46-9 | ChemIDplus |