EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:73289 - ICI 118551
| Formula | C17H27NO2 |
| Net Charge | 0 |
| Average Mass | 277.408 |
| Monoisotopic Mass | 277.20418 |
| SMILES | Cc1ccc(OC[C@H](O)[C@H](C)NC(C)C)c2c1CCC2 |
| InChI | InChI=1S/C17H27NO2/c1-11(2)18-13(4)16(19)10-20-17-9-8-12(3)14-6-5-7-15(14)17/h8-9,11,13,16,18-19H,5-7,10H2,1-4H3/t13-,16-/m0/s1 |
| InChIKey | VFIDUCMKNJIJTO-BBRMVZONSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | 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. |
| Application: | 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ICI 118551 (CHEBI:73289) has role β-adrenergic antagonist (CHEBI:35530) |
| ICI 118551 (CHEBI:73289) is a aromatic ether (CHEBI:35618) |
| ICI 118551 (CHEBI:73289) is a indanes (CHEBI:46940) |
| ICI 118551 (CHEBI:73289) is a secondary alcohol (CHEBI:35681) |
| ICI 118551 (CHEBI:73289) is a secondary amino compound (CHEBI:50995) |
| IUPAC Name |
|---|
| (2R,3S)-3-(isopropylamino)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]butan-2-ol |
| Manual Xrefs | Databases |
|---|---|
| WO2008075104 | Patent |
| ICI-118,551 | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| Reaxys:18386360 | Reaxys |
| Citations |
|---|