bepotastine besylate (CHEBI:31281)

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CHEBI:31281 - bepotastine besylate

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ChEBI ID	CHEBI:31281
ChEBI Name	bepotastine besylate
Stars
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.
Last Modified	20 November 2012
Downloads	Molfile

Formula	C21H25ClN2O3.C6H6O3S
Net Charge	0
Average Mass	547.073
Monoisotopic Mass	546.15914
SMILES	O=C(O)CCCN1CCC(O[C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1.O=S(=O)(O)c1ccccc1
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

Roles Classification

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)
	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	Source
Bepotastine besilate	KEGG DRUG
Bepotastine benzenesulfonate	ChemIDplus
Betotastine besilate	ChemIDplus
Bepotastine besylate	ChemIDplus

Brand Name	Source
Bepreve	KEGG DRUG

Manual Xrefs	Databases
D01654	KEGG DRUG
DB04890	DrugBank
EP1525884	Patent
WO2012048059	Patent

Registry Numbers	Sources
Reaxys:7903750	Reaxys
CAS:190786-44-8	KEGG DRUG
CAS:190786-44-8	ChemIDplus

Citations