CHEBI:5050 - fexofenadine

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ChEBI Name fexofenadine
ChEBI ID CHEBI:5050
Definition A piperidine-based anti-histamine compound.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C32H39NO4
Net Charge 0
Average Mass 501.65640
Monoisotopic Mass 501.288
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
SMILES CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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.
Application(s): 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.
anti-allergic agent
A drug used to treat allergic reactions.
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ChEBI Ontology
Outgoing 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 Sources
4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alpha,alpha-dimethylbenzeneacetic acid KEGG COMPOUND
Carboxyterfenadine ChemIDplus
Fexofenadine KEGG COMPOUND
Terfenadine acid metabolite ChemIDplus
Terfenadine carboxylate ChemIDplus
Terfenadine-COOH ChemIDplus
Manual Xrefs Databases
1170 DrugCentral
C06999 KEGG COMPOUND
D07958 KEGG DRUG
DB00950 DrugBank
DE3007498 Patent
Fexofenadine Wikipedia
LSM-1770 LINCS
US4254129 Patent
View more database links
Registry Numbers Types Sources
6832242 Beilstein Registry Number Beilstein
83799-24-0 CAS Registry Number KEGG COMPOUND
83799-24-0 CAS Registry Number ChemIDplus
Last Modified
22 February 2017