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CHEBI:59805 - (S)-dobutamine
| Formula | C18H23NO3 |
| Net Charge | 0 |
| Average Mass | 301.386 |
| Monoisotopic Mass | 301.16779 |
| SMILES | C[C@@H](CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1 |
| InChI | InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3/t13-/m0/s1 |
| InChIKey | JRWZLRBJNMZMFE-ZDUSSCGKSA-N |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | 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. cardiotonic drug A drug that has a strengthening effect on the heart or that can increase cardiac output. 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (S)-dobutamine (CHEBI:59805) is a dobutamine (CHEBI:4670) |
| (S)-dobutamine (CHEBI:59805) is enantiomer of (R)-dobutamine (CHEBI:59804) |
| Incoming Relation(s) |
| (R)-dobutamine (CHEBI:59804) is enantiomer of (S)-dobutamine (CHEBI:59805) |
| IUPAC Name |
|---|
| 4-(2-{[(2SS)-4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)benzene-1,2-diol |
| Synonyms | Source |
|---|---|
| (S)-3,4-dihydroxy-N-[3-(4-hydroxyphenyl)-1-methylpropyl]-β-phenylethylamine | ChEBI |
| (S)-4-(2-((3-(p-hydroxyphenyl)-1-methylpropyl)amino)ethyl)pyrocatechol | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 13 | DrugCentral |
| Registry Numbers | Sources |
|---|---|
| Reaxys:15472663 | Reaxys |