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CHEBI:5050 - fexofenadine
| Formula | C32H39NO4 |
| Net Charge | 0 |
| Average Mass | 501.667 |
| Monoisotopic Mass | 501.28791 |
| SMILES | CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 |
| InChI | InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36) |
| InChIKey | RWTNPBWLLIMQHL-UHFFFAOYSA-N |
| Wikipedia |
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| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | H1-receptor antagonist H1-receptor antagonists are the drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine. |
| Applications: | anti-allergic agent A drug used to treat allergic reactions. H1-receptor antagonist H1-receptor antagonists are the drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| fexofenadine (CHEBI:5050) has functional parent isobutyric acid (CHEBI:16135) |
| fexofenadine (CHEBI:5050) has role anti-allergic agent (CHEBI:50857) |
| fexofenadine (CHEBI:5050) has role H1-receptor antagonist (CHEBI:37955) |
| fexofenadine (CHEBI:5050) is a piperidines (CHEBI:26151) |
| fexofenadine (CHEBI:5050) is a tertiary amine (CHEBI:32876) |
| Synonyms | Source |
|---|---|
| Fexofenadine | KEGG COMPOUND |
| 4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alpha,alpha-dimethylbenzeneacetic acid | KEGG COMPOUND |
| Carboxyterfenadine | ChemIDplus |
| Terfenadine acid metabolite | ChemIDplus |
| Terfenadine carboxylate | ChemIDplus |
| Terfenadine-COOH | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Beilstein:6832242 | Beilstein |
| CAS:83799-24-0 | KEGG COMPOUND |
| CAS:83799-24-0 | ChemIDplus |