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CHEBI:83478 - atenolol acid
| Formula | C14H21NO4 |
| Net Charge | 0 |
| Average Mass | 267.325 |
| Monoisotopic Mass | 267.14706 |
| SMILES | CC(C)NCC(O)COc1ccc(CC(=O)O)cc1 |
| InChI | InChI=1S/C14H21NO4/c1-10(2)15-8-12(16)9-19-13-5-3-11(4-6-13)7-14(17)18/h3-6,10,12,15-16H,7-9H2,1-2H3,(H,17,18) |
| InChIKey | PUQIRTNPJRFRCZ-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | marine xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| atenolol acid (CHEBI:83478) has role drug metabolite (CHEBI:49103) |
| atenolol acid (CHEBI:83478) has role marine xenobiotic metabolite (CHEBI:83399) |
| atenolol acid (CHEBI:83478) is a aromatic ether (CHEBI:35618) |
| atenolol acid (CHEBI:83478) is a monocarboxylic acid (CHEBI:25384) |
| atenolol acid (CHEBI:83478) is a secondary alcohol (CHEBI:35681) |
| atenolol acid (CHEBI:83478) is a secondary amino compound (CHEBI:50995) |
| IUPAC Name |
|---|
| {4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}acetic acid |
| Synonyms | Source |
|---|---|
| (2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzeneacetic acid | ChemIDplus |
| Metoprolol acid | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Reaxys:8774963 | Reaxys |
| CAS:56392-14-4 | ChemIDplus |
| Citations |
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