clemastine   Click here for help

GtoPdb Ligand ID: 6063

Synonyms: HS-592 | meclastin | Tavegil® | Tavist®
Approved drug Immunopharmacology Ligand
clemastine is an approved drug (FDA (1977))
Compound class: Synthetic organic
Comment: Marketed formulations contain clemastine hydrogen fumarate (PubChem CID 5281069).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 12.47
Molecular weight 343.17
XLogP 5.2
No. Lipinski's rules broken 1
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Canonical SMILES Clc1ccc(cc1)C(c1ccccc1)(OCCC1CCCN1C)C
Isomeric SMILES Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C
InChI InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1977))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
2231 clemastine
Synonyms Click here for help
HS-592 | meclastin | Tavegil® | Tavist®
Database Links Click here for help
Specialist databases
GPCRdb Ligand clemastine
Other databases
CAS Registry No. 15686-51-8
ChEMBL Ligand CHEMBL1626
DrugBank Ligand DB00283
DrugCentral Ligand 671
GtoPdb PubChem SID 178102684
PubChem CID 26987
Search Google for chemical match using the InChIKey YNNUSGIPVFPVBX-NHCUHLMSSA-N
Search Google for chemicals with the same backbone YNNUSGIPVFPVBX
Search PubMed clinical trials clemastine
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Search PubMed titles/abstracts clemastine
UniChem Compound Search for chemical match using the InChIKey YNNUSGIPVFPVBX-NHCUHLMSSA-N
UniChem Connectivity Search for chemical match using the InChIKey YNNUSGIPVFPVBX-NHCUHLMSSA-N
Wikipedia Clemastine