olopatadine   Click here for help

GtoPdb Ligand ID: 7249

Synonyms: ALO-4943A | KW-4679 | Opatanol® | Patanol® | Pazeo®
Approved drug Immunopharmacology Ligand
olopatadine is an approved drug (FDA (1996), EMA (2002))
Compound class: Synthetic organic
Comment: Olopatadine is an antihistamine.
Marketed formulations may contain olopatadine hydrochloride (PubChem CID 5282402).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 49.77
Molecular weight 337.17
XLogP 3.42
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN(CCC=C1c2cc(ccc2OCc2c1cccc2)CC(=O)O)C
Isomeric SMILES CN(CC/C=C/1\c2cc(ccc2OCc2c1cccc2)CC(=O)O)C
InChI InChI=1S/C21H23NO3/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)/b18-8-
InChI Key JBIMVDZLSHOPLA-LSCVHKIXSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1996), EMA (2002))
IUPAC Name Click here for help
2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid
International Nonproprietary Names Click here for help
INN number INN
7257 olopatadine
Synonyms Click here for help
ALO-4943A | KW-4679 | Opatanol® | Patanol® | Pazeo®
Database Links Click here for help
CAS Registry No. 113806-05-6
ChEMBL Ligand CHEMBL1189432
DrugBank Ligand DB00768
DrugCentral Ligand 1986
GtoPdb PubChem SID 178103823
PubChem CID 5281071
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Wikipedia Olopatadine