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CHEBI:6904 - metoprolol
| Formula | C15H25NO3 |
| Net Charge | 0 |
| Average Mass | 267.369 |
| Monoisotopic Mass | 267.18344 |
| SMILES | COCCc1ccc(OCC(O)CNC(C)C)cc1 |
| InChI | InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3 |
| InChIKey | IUBSYMUCCVWXPE-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Chemical Roles: | environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. 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. |
| Applications: | antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism. geroprotector Any compound that supports healthy aging, slows the biological aging process, or extends lifespan. 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) |
| metoprolol (CHEBI:6904) has role antihypertensive agent (CHEBI:35674) |
| metoprolol (CHEBI:6904) has role environmental contaminant (CHEBI:78298) |
| metoprolol (CHEBI:6904) has role geroprotector (CHEBI:176497) |
| metoprolol (CHEBI:6904) has role xenobiotic (CHEBI:35703) |
| metoprolol (CHEBI:6904) has role β-adrenergic antagonist (CHEBI:35530) |
| metoprolol (CHEBI:6904) is a aromatic ether (CHEBI:35618) |
| metoprolol (CHEBI:6904) is a propanolamine (CHEBI:35533) |
| metoprolol (CHEBI:6904) is a secondary alcohol (CHEBI:35681) |
| metoprolol (CHEBI:6904) is a secondary amino compound (CHEBI:50995) |
| IUPAC Name |
|---|
| 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol |
| Synonyms | Source |
|---|---|
| Metoprolol | KEGG COMPOUND |
| 1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol | ChEBI |
| (RS)-Metoprolol | ChemIDplus |
| Metoprolol | KEGG DRUG |
| Manual Xrefs | Databases |
|---|---|
| C07202 | KEGG COMPOUND |
| D02358 | KEGG DRUG |
| Metoprolol | Wikipedia |
| DB00264 | DrugBank |
| HMDB0001932 | HMDB |
| LSM-1259 | LINCS |
| 1786 | DrugCentral |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1117585 | Reaxys |
| CAS:37350-58-6 | KEGG COMPOUND |
| CAS:51384-51-1 | ChemIDplus |
| CAS:37350-58-6 | ChemIDplus |
| CAS:51384-51-1 | KEGG COMPOUND |
| Citations |
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