epinastine   Click here for help

GtoPdb Ligand ID: 7176

Synonyms: Elestat® | epinastine hydrochloride
Approved drug Immunopharmacology Ligand
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
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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
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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)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2003))
International Nonproprietary Names Click here for help
INN number INN
5953 epinastine
Synonyms Click here for help
Elestat® | epinastine hydrochloride
Database Links Click here for help
Specialist databases
GPCRdb Ligand epinastine
Other databases
CAS Registry No. 80012-43-7
ChEMBL Ligand CHEMBL1106
DrugBank Ligand DB00751
DrugCentral Ligand 1027
GtoPdb PubChem SID 178103751
PubChem CID 3241
Search Google for chemical match using the InChIKey WHWZLSFABNNENI-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey WHWZLSFABNNENI-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey WHWZLSFABNNENI-UHFFFAOYSA-N
Wikipedia Epinastine