CHEBI:31281 - bepotastine besylate

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ChEBI Name bepotastine besylate
ChEBI ID CHEBI:31281
Definition An organosulfonate salt obtained by combining equimolar amounts of bepotastine and benzenesulfonic acid. A topical, selective and non-sedating histamine (H1) receptor antagonist used for treatment of itching associated with allergic conjunctivitis.
Stars This entity has been manually annotated by the ChEBI Team.
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Formulae C21H25ClN2O3.C6H6O3S
C27H31ClN2O6S
Net Charge 0
Average Mass 547.06300
Monoisotopic Mass 546.15914
InChI InChI=1S/C21H25ClN2O3.C6H6O3S/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;7-10(8,9)6-4-2-1-3-5-6/h1-2,4,6-9,12,18,21H,3,5,10-11,13-15H2,(H,25,26);1-5H,(H,7,8,9)/t21-;/m0./s1
InChIKey UDGHXQPQKQPSBB-BOXHHOBZSA-N
SMILES OS(=O)(=O)c1ccccc1.OC(=O)CCCN1CCC(CC1)O[C@@H](c1ccc(Cl)cc1)c1ccccn1
Roles Classification
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 besylate (CHEBI:31281) has part bepotastine(1+) (CHEBI:71202)
bepotastine besylate (CHEBI:31281) has role anti-allergic agent (CHEBI:50857)
bepotastine besylate (CHEBI:31281) has role H1-receptor antagonist (CHEBI:37955)
bepotastine besylate (CHEBI:31281) is a organosulfonate salt (CHEBI:64382)
IUPAC Name
4-{4-[(S)-(4-chlorophenyl)(pyridin-2-yl)methoxy]piperidin-1-yl}butanoic acid benzenesulfonate
Synonyms Sources
Bepotastine benzenesulfonate ChemIDplus
Bepotastine besilate KEGG DRUG
Bepotastine besylate ChemIDplus
Betotastine besilate ChemIDplus
Brand Name Source
Bepreve KEGG DRUG
Manual Xrefs Databases
D01654 KEGG DRUG
DB04890 DrugBank
EP1525884 Patent
WO2012048059 Patent
View more database links
Registry Numbers Types Sources
190786-44-8 CAS Registry Number KEGG DRUG
190786-44-8 CAS Registry Number ChemIDplus
7903750 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
20412793 PubMed citation Europe PMC
20488431 PubMed citation Europe PMC
20642205 PubMed citation Europe PMC
20735291 PubMed citation Europe PMC
20975801 PubMed citation Europe PMC
21386912 PubMed citation Europe PMC
21649522 PubMed citation Europe PMC
22035542 PubMed citation Europe PMC
22963365 PubMed citation Europe PMC
22991696 PubMed citation Europe PMC
23152650 PubMed citation Europe PMC
Last Modified
20 November 2012