Bepotastine besilateProduct ingredient for Bepotastine

Name
Bepotastine besilate
Drug Entry
Bepotastine

Bepotastine is a non-sedating, selective antagonist of the histamine 1 (H1) receptor. Bepotastine was approved in Japan for use in the treatment of allergic rhinitis and uriticaria/puritus in July 2000 and January 2002, respectively, and is marketed by Tanabe Seiyaku Co., Ltd. under the brand name Talion. It is available in oral and opthalmic dosage forms in Japan. The opthalmic solution is FDA approved since Sept 8, 2009 and is under the brand name Bepreve.

Accession Number
DBSALT000017
Structure
Synonyms
Bepotastine benzenesulfonate salt / Bepotastine benzenesulphonate salt / Bepotastine besylate
External IDs
TAU-284
UNII
6W18MO1QR3
CAS Number
190786-44-8
Weight
Average: 547.063
Monoisotopic: 546.159135131
Chemical Formula
C27H31ClN2O6S
InChI Key
UDGHXQPQKQPSBB-BOXHHOBZSA-N
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
IUPAC Name
4-{4-[(S)-(4-chlorophenyl)(pyridin-2-yl)methoxy]piperidin-1-yl}butanoic acid; benzenesulfonic acid
SMILES
OS(=O)(=O)C1=CC=CC=C1.[H][C@](OC1CCN(CCCC(O)=O)CC1)(C1=CC=C(Cl)C=C1)C1=CC=CC=N1
PubChem Compound
164521
ChemSpider
144227
ChEBI
31281
ChEMBL
CHEMBL1201759
Predicted Properties
PropertyValueSource
Water Solubility0.0503 mg/mLALOGPS
logP3.64ALOGPS
logP0.55Chemaxon
logS-3.9ALOGPS
pKa (Strongest Acidic)4.1Chemaxon
pKa (Strongest Basic)9.39Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area62.66 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity105.1 m3·mol-1Chemaxon
Polarizability41.67 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon