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CHEBI:71204 - bepotastine

ChEBI IDCHEBI:71204
ChEBI Namebepotastine
Stars
DefinitionAn 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.
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC21H25ClN2O3
Net Charge0
Average Mass388.895
Monoisotopic Mass388.15537
SMILESO=C(O)CCCN1CCC(O[C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1
InChIInChI=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
InChIKeyYWGDOWXRIALTES-NRFANRHFSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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:
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.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
bepotastine(1+) (CHEBI:71202) is conjugate acid of bepotastine (CHEBI:71204)
INNs  Source
bepotastineKEGG DRUG
bepotastinumWHO MedNet
bepotastinaWHO MedNet
bépotastineWHO MedNet
Synonyms  Source
betotastineChEBI
4-((4-Chlorophenyl)-2-pyridinylmethoxy)-1-piperidinebutanoic acidChemIDplus
(+)-4-(((S)-p-Chloro-alpha-2-pyridylbenzyl)oxy)-1-piperidinebutyric acidChemIDplus
Manual XrefsDatabases
D09705KEGG DRUG
DB04890DrugBank
WO2008153289Patent
US2010168433Patent
WO2008123701Patent
EP1336602Patent
BepotastineWikipedia
341DrugCentral
Registry NumbersSources
Reaxys:7910270Reaxys
CAS:125602-71-3KEGG DRUG
CAS:125602-71-3ChemIDplus
Citations