CHEBI:64218 - (2S,3S)-nemonapride

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ChEBI Name (2S,3S)-nemonapride
ChEBI ID CHEBI:64218
ChEBI ASCII Name (2S,3S)-nemonapride
Definition An optically active form of nemonapride having (2S,3S)-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H26ClN3O2
Net Charge 0
Average Mass 387.90300
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-/m0/s1
InChIKey KRVOJOCLBAAKSJ-KSSFIOAISA-N
SMILES CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccccc2)[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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (2S,3S)-nemonapride (CHEBI:64218) is a N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide (CHEBI:64217)
(2S,3S)-nemonapride (CHEBI:64218) is enantiomer of (2R,3R)-nemonapride (CHEBI:64219)
Incoming nemonapride (CHEBI:31899) has part (2S,3S)-nemonapride (CHEBI:64218)
(2R,3R)-nemonapride (CHEBI:64219) is enantiomer of (2S,3S)-nemonapride (CHEBI:64218)
IUPAC Name
N-[(2S,3S)-1-benzyl-2-methylpyrrolidin-3-yl]-5-chloro-2-methoxy-4-(methylamino)benzamide
Synonyms Sources
(−)-nemonapride ChEBI
(2S,3S)-emonapride ChEBI
(2S-cis)-5-chloro-2-methoxy-4-(methylamino)-N-[2-methyl-1-(phenylmethyl)-3-pyrrolidinyl]benzamide ChEBI
5-chloro-2-methoxy-4-(methylamino)-N-[(2S,3S)-2-methyl-1-(phenylmethyl)-3-pyrrolidinyl]benzamide ChEBI
Manual Xrefs Databases
8127831 ChemSpider
LSM-37183 LINCS
View more database links
Registry Number Type Source
8008139 Reaxys Registry Number Reaxys
Last Modified
13 August 2021
General Comment
2021-08-13 Relevant DOI:10.6023/cjoc201604030