nemonapride   Click here for help

GtoPdb Ligand ID: 983

Synonyms: emonapride | YM 09151-2 | YM-09151-2
Compound class: Synthetic organic
Comment: The INN-assigned structure nemonapride is a racemic mixture of two enantiomers. The structure shown here does not specify stereochemistry and represents the mixture.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 53.6
Molecular weight 387.17
XLogP 3.82
No. Lipinski's rules broken 0
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Canonical SMILES COc1cc(NC)c(cc1C(=O)NC1CCN(C1C)Cc1ccccc1)Cl
Isomeric SMILES COc1cc(NC)c(cc1C(=O)NC1CCN(C1C)Cc1ccccc1)Cl
InChI InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
6430 nemonapride
Synonyms Click here for help
emonapride | YM 09151-2 | YM-09151-2
Database Links Click here for help
Specialist databases
GPCRdb Ligand nemonapride
Other databases
CAS Registry No. 75272-39-8 (source: Scifinder)
ChEMBL Ligand CHEMBL20734
GtoPdb PubChem SID 135650707
PubChem CID 4452
Search Google for chemical match using the InChIKey KRVOJOCLBAAKSJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KRVOJOCLBAAKSJ
Search PubMed clinical trials nemonapride
Search PubMed titles nemonapride
Search PubMed titles/abstracts nemonapride
UniChem Compound Search for chemical match using the InChIKey KRVOJOCLBAAKSJ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey KRVOJOCLBAAKSJ-UHFFFAOYSA-N
Wikipedia Nemonapride