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
- External Links
- PubChem Compound
- 164521
- ChemSpider
- 144227
- ChEBI
- 31281
- ChEMBL
- CHEMBL1201759
- Predicted Properties
Property Value Source Water Solubility 0.0503 mg/mL ALOGPS logP 3.64 ALOGPS logP 0.55 Chemaxon logS -3.9 ALOGPS pKa (Strongest Acidic) 4.1 Chemaxon pKa (Strongest Basic) 9.39 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 62.66 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 105.1 m3·mol-1 Chemaxon Polarizability 41.67 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon