BEPOTASTINE BESYLATE

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Synonyms
BB
Status
Molecule Category Salt-form
UNII 6W18MO1QR3
EPA CompTox DTXSID80172577

Structure

InChI Key UDGHXQPQKQPSBB-BOXHHOBZSA-N
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

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

Mechanism of Action Action Reference
Histamine H1 receptor antagonist ANTAGONIST FDA

Target Conservation

Protein: Histamine H1 receptor
Description: Histamine H1 receptor
Organism : Homo sapiens
P35367 ENSG00000196639

Cross References

Resources Reference
ChEBI 31281
ChEMBL CHEMBL1201759
FDA SRS 6W18MO1QR3
PubChem 164521
SureChEMBL SCHEMBL1287638
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