CHEBI:64219 - (2R,3R)-nemonapride

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ChEBI Name (2R,3R)-nemonapride
ChEBI ID CHEBI:64219
ChEBI ASCII Name (2R,3R)-nemonapride
Definition An optically active form of nemonapride having (2R,3R)-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C21H26ClN3O2
Net Charge 0
Average Mass 387.910
Monoisotopic Mass 387.17135
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)/t14-,18-/m1/s1
InChIKey KRVOJOCLBAAKSJ-RDTXWAMCSA-N
SMILES CNC1=CC(OC)=C(C=C1Cl)C(=O)N[C@@H]1CCN(CC2=CC=CC=C2)[C@@H]1C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing (2R,3R)-nemonapride (CHEBI:64219) is a N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide (CHEBI:64217)
(2R,3R)-nemonapride (CHEBI:64219) is conjugate base of (2R,3R)-nemonapride(1+) (CHEBI:188145)
(2R,3R)-nemonapride (CHEBI:64219) is enantiomer of (2S,3S)-nemonapride (CHEBI:64218)
Incoming nemonapride (CHEBI:31899) has part (2R,3R)-nemonapride (CHEBI:64219)
(2R,3R)-nemonapride(1+) (CHEBI:188145) is conjugate acid of (2R,3R)-nemonapride (CHEBI:64219)
(2S,3S)-nemonapride (CHEBI:64218) is enantiomer of (2R,3R)-nemonapride (CHEBI:64219)
IUPAC Name
N-[(2R,3R)-1-benzyl-2-methylpyrrolidin-3-yl]-5-chloro-2-methoxy-4-(methylamino)benzamide
Synonyms Sources
(+)-nemonapride ChEBI
(2R,3R)-emonapride ChEBI
(2R-cis)-5-chloro-2-methoxy-4-(methylamino)-N-[2-methyl-1-(phenylmethyl)-3-pyrrolidinyl]benzamide ChEBI
5-chloro-2-methoxy-4-(methylamino)-N-[(2R,3R)-2-methyl-1-(phenylmethyl)-3-pyrrolidinyl]benzamide ChEBI
Manual Xrefs Databases
137667 ChemSpider
AQD PDBeChem
C12915 KEGG COMPOUND
D01468 KEGG DRUG
LSM-37098 LINCS
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Registry Numbers Types Sources
15801779 Reaxys Registry Number Reaxys
187139-87-3 CAS Registry Number ChEBI
Citations Waiting for Citations Types Sources
18177051 PubMed citation Europe PMC
28049911 PubMed citation Europe PMC
29051383 PubMed citation Europe PMC
Last Modified
13 August 2021