BEPOTASTINE BESYLATE

Search structure
Synonyms:
BB
Status: Approved (2009)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 6W18MO1QR3

Structure
InChI Key UDGHXQPQKQPSBB-BOXHHOBZSA-N
Smile 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

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H31ClN2O6S
Molecular Weight 547.07
AlogP 4.17
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 62.66
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Histamine H1 receptor antagonist FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pruritus 4 D011537 ClinicalTrials
Rhinitis, Allergic, Perennial 3 D012221 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 31281
ChEMBL CHEMBL1201759
EPA CompTox DTXSID80172577
FDA SRS 6W18MO1QR3
PubChem 164521
SureChEMBL SCHEMBL1287638
CONTENTS