(S)-dimetindene   Click here for help

GtoPdb Ligand ID: 10104

Synonyms: (+)-dimethindene | (+)-dimetindene | (S)-dimethindene
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: This is the (S)-enantiomer of the antihistamine drug dimetindene.
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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@@H](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/t15-/m1/s1
InChI Key MVMQESMQSYOVGV-OAHLLOKOSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N,N-dimethyl-2-[3-[(1S)-1-pyridin-2-ylethyl]-1H-inden-2-yl]ethanamine
Synonyms Click here for help
(+)-dimethindene | (+)-dimetindene | (S)-dimethindene
Database Links Click here for help
ChEMBL Ligand CHEMBL1493369
GtoPdb PubChem SID 381118814
PubChem CID 6604866
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