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
SMILES / InChI / InChIKey
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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)
InChI Key KRVOJOCLBAAKSJ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-chloro-2-methoxy-4-methylamino-N-[2-methyl-1-(phenylmethyl)pyrrolidin-3-yl]benzamide
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
CAS Registry No. 75272-39-8 (source: Scifinder)
ChEBI CHEBI:31899
ChEMBL Ligand CHEMBL20734
GtoPdb PubChem SID 135650707
PubChem CID 4452
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Wikipedia Nemonapride