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CHEBI:31410 - clenbuterol hydrochloride
| Formula | C12H18Cl2N2O.HCl |
| Net Charge | 0 |
| Average Mass | 313.656 |
| Monoisotopic Mass | 312.05630 |
| SMILES | CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1.Cl |
| InChI | InChI=1S/C12H18Cl2N2O.ClH/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7;/h4-5,10,16-17H,6,15H2,1-3H3;1H |
| InChIKey | OPXKTCUYRHXSBK-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Roles: | 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. beta-adrenergic agonist An agent that selectively binds to and activates β-adrenergic receptors. |
| Applications: | 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. beta-adrenergic agonist An agent that selectively binds to and activates β-adrenergic receptors. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| clenbuterol hydrochloride (CHEBI:31410) has part clenbuterol(1+) (CHEBI:61153) |
| clenbuterol hydrochloride (CHEBI:31410) has role bronchodilator agent (CHEBI:35523) |
| clenbuterol hydrochloride (CHEBI:31410) has role sympathomimetic agent (CHEBI:35524) |
| clenbuterol hydrochloride (CHEBI:31410) has role β-adrenergic agonist (CHEBI:35522) |
| clenbuterol hydrochloride (CHEBI:31410) is a hydrochloride (CHEBI:36807) |
| Incoming Relation(s) |
| (R)-clenbuterol hydrochloride (CHEBI:59569) is a clenbuterol hydrochloride (CHEBI:31410) |
| (S)-clenbuterol hydrochloride (CHEBI:59570) is a clenbuterol hydrochloride (CHEBI:31410) |
| IUPAC Name |
|---|
| 1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol hydrochloride |
| Synonyms | Source |
|---|---|
| 4-amino-3,5-dichloro-α-(((1,1-dimethylethyl)amino)methyl)benzenemethanol hydrochloride | ChEBI |
| 4-amino-3,5-dichloro-α-(((1,1-dimethylethyl)amino)methyl)benzenemethanol monohydrochloride | ChEBI |
| 4-amino-α-((tert-butylamino)methyl)-3,5-dichlorobenzyl alcohol hydrochloride | ChemIDplus |
| 4-amino-α-((tert-butylamino)methyl)-3,5-dichlorobenzyl alcohol monohydrochloride | ChEBI |
| clenbuterol clorhidrato | ChemIDplus |
| clenbuterol HCl | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| D01360 | KEGG DRUG |
| Registry Numbers | Sources |
|---|---|
| Beilstein:5780956 | Beilstein |
| CAS:21898-19-1 | KEGG DRUG |