epinastine   

GtoPdb Ligand ID: 7176

Synonyms: Elestat® | epinastine hydrochloride
epinastine is an approved drug (FDA (2003))
Compound class: Synthetic organic
Comment: Epinastine is an antihistamine.
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 39.12
Molecular weight 249.13
XLogP 3.87
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES N=C1NCC2N1c1ccccc1Cc1c2cccc1
Isomeric SMILES N=C1NCC2N1c1ccccc1Cc1c2cccc1
InChI InChI=1S/C16H15N3/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16/h1-8,15H,9-10H2,(H2,17,18)
InChI Key WHWZLSFABNNENI-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2003))
International Nonproprietary Names
INN number INN
5953 epinastine
Synonyms
Elestat® | epinastine hydrochloride
Database Links
CAS Registry No. 80012-43-7
ChEMBL Ligand CHEMBL1106
DrugBank Ligand DB00751
DrugCentral Ligand 1027
GtoPdb PubChem SID 178103751
PubChem CID 3241
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Wikipedia Epinastine