bepotastine   Click here for help

GtoPdb Ligand ID: 7466

Synonyms: Talion® | TAU-284
Approved drug
bepotastine is an approved drug (FDA (2009))
Compound class: Synthetic organic
Comment: The marketed formulation contains the besilate salt (PubChem CID 164521).
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 62.66
Molecular weight 388.16
XLogP 3.06
No. Lipinski's rules broken 0
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Canonical SMILES OC(=O)CCCN1CCC(CC1)OC(c1ccccn1)c1ccc(cc1)Cl
Isomeric SMILES OC(=O)CCCN1CCC(CC1)O[C@H](c1ccccn1)c1ccc(cc1)Cl
InChI InChI=1S/C21H25ClN2O3/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/h1-2,4,6-9,12,18,21H,3,5,10-11,13-15H2,(H,25,26)/t21-/m0/s1
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2009))
IUPAC Name Click here for help
4-[4-[(S)-(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]butanoic acid
International Nonproprietary Names Click here for help
INN number INN
7648 bepotastine
Synonyms Click here for help
Talion® | TAU-284
Database Links Click here for help
CAS Registry No. 125602-71-3
ChEMBL Ligand CHEMBL1201758
DrugBank Ligand DB04890
DrugCentral Ligand 341
GtoPdb PubChem SID 187051769
PubChem CID 164522
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Wikipedia Bepotastine