dimetindene   Click here for help

GtoPdb Ligand ID: 10101

Synonyms: (+/-)-dimethindene | dimethindene | dimethpyrindene | Fenistil® | Vibrocil®
Approved drug Immunopharmacology Ligand
dimetindene is an approved drug
Compound class: Synthetic organic
Comment: Dimetindene is an orally active, selective histamine H1 receptor antagonist. It also has anticholinergic activity [1]. The INN specifies the racemic mixture of (R)- and (S)-enantiomers. We show the structure without specified stereochemistry to represent that mixture.
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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 5
Topological polar surface area 16.13
Molecular weight 292.19
XLogP 2.86
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN(CCC1=C(C(c2ccccn2)C)c2c(C1)cccc2)C
Isomeric SMILES CN(CCC1=C(C(c2ccccn2)C)c2c(C1)cccc2)C
InChI InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3
InChI Key MVMQESMQSYOVGV-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
N,N-dimethyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine
International Nonproprietary Names Click here for help
INN number INN
1403 dimetindene
Synonyms Click here for help
(+/-)-dimethindene | dimethindene | dimethpyrindene | Fenistil® | Vibrocil®
Database Links Click here for help
BindingDB Ligand 81452
CAS Registry No. 5636-83-9 (source: PubChem)
ChEMBL Ligand CHEMBL22108
DrugCentral Ligand 903
GtoPdb PubChem SID 381118811
PubChem CID 21855
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