CHEBI:71204 - bepotastine

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ChEBI Name bepotastine
ChEBI ID CHEBI:71204
Definition An ether that is (S)-(4-chlorophenyl)(pyridin-2-yl)methanol in which the hydroxyl hydrogen is substituted by a 1-(3-carboxypropyl)piperidin-4-yl group. A topical, selective and non-sedating histamine (H1) receptor antagonist used (as its benzenesulfonate salt) for treatment of itching associated with allergic conjunctivitis.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C21H25ClN2O3
Net Charge 0
Average Mass 388.88800
Monoisotopic Mass 388.15537
InChI InChI=1S/C21H25ClN2O3/c22-17-8-6-16(7-9-17)21(19-4-1-2-12-23-19)27-18-10-14-24(15-11-18)13-3-5-20(25)26/h1-2,4,6-9,12,18,21H,3,5,10-11,13-15H2,(H,25,26)/t21-/m0/s1
InChIKey YWGDOWXRIALTES-NRFANRHFSA-N
SMILES OC(=O)CCCN1CCC(CC1)O[C@@H](c1ccc(Cl)cc1)c1ccccn1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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 bepotastine (CHEBI:71204) has role anti-allergic agent (CHEBI:50857)
bepotastine (CHEBI:71204) has role H1-receptor antagonist (CHEBI:37955)
bepotastine (CHEBI:71204) is a ether (CHEBI:25698)
bepotastine (CHEBI:71204) is a monocarboxylic acid (CHEBI:25384)
bepotastine (CHEBI:71204) is a monochlorobenzenes (CHEBI:83403)
bepotastine (CHEBI:71204) is a piperidines (CHEBI:26151)
bepotastine (CHEBI:71204) is a pyridines (CHEBI:26421)
bepotastine (CHEBI:71204) is conjugate base of bepotastine(1+) (CHEBI:71202)
Incoming bepotastine(1+) (CHEBI:71202) is conjugate acid of bepotastine (CHEBI:71204)
INNs Sources
bepotastina WHO MedNet
bépotastine WHO MedNet
bepotastine KEGG DRUG
bepotastinum WHO MedNet
Synonyms Sources
(+)-4-(((S)-p-Chloro-alpha-2-pyridylbenzyl)oxy)-1-piperidinebutyric acid ChemIDplus
4-((4-Chlorophenyl)-2-pyridinylmethoxy)-1-piperidinebutanoic acid ChemIDplus
betotastine ChEBI
Manual Xrefs Databases
341 DrugCentral
Bepotastine Wikipedia
D09705 KEGG DRUG
DB04890 DrugBank
EP1336602 Patent
US2010168433 Patent
WO2008123701 Patent
WO2008153289 Patent
View more database links
Registry Numbers Types Sources
125602-71-3 CAS Registry Number ChemIDplus
125602-71-3 CAS Registry Number KEGG DRUG
7910270 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
20687621 PubMed citation Europe PMC
21105284 PubMed citation Europe PMC
22286689 PubMed citation Europe PMC
23152650 PubMed citation Europe PMC
Last Modified
22 February 2017