dexetimide   Click here for help

GtoPdb Ligand ID: 354

Synonyms: (+)-benzetimide | R 16470 | Tremblex®
Approved drug
dexetimide is an approved drug
Compound class: Synthetic organic
Comment: In addition to being an INN-assigned compound itself, dexetimide is one of the enantiomers of the INN-assigned racemic compound benzetimide. The other enantiomer of benzetimide is levetimide.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 49.41
Molecular weight 362.2
XLogP 3.47
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C1CCC(C(=O)N1)(C1CCN(CC1)Cc1ccccc1)c1ccccc1
Isomeric SMILES O=C1CC[C@](C(=O)N1)(C1CCN(CC1)Cc1ccccc1)c1ccccc1
InChI InChI=1S/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27)/t23-/m1/s1
InChI Key LQQIVYSCPWCSSD-HSZRJFAPSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
(3S)-3-phenyl-3-[1-(phenylmethyl)piperidin-4-yl]piperidine-2,6-dione
International Nonproprietary Names Click here for help
INN number INN
1708 benzetimide
2726 dexetimide
Synonyms Click here for help
(+)-benzetimide | R 16470 | Tremblex®
Database Links Click here for help
CAS Registry No. 21888-98-2 (source: Scifinder)
ChEMBL Ligand CHEMBL1908364
DrugCentral Ligand 831
GtoPdb PubChem SID 135650172
PubChem CID 30843
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Wikipedia Dexetimide