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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:64218 - (2
S
,3
S
)-nemonapride
Main
ChEBI Ontology
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ChEBI Name
(2
S
,3
S
)-nemonapride
ChEBI ID
CHEBI:64218
ChEBI ASCII Name
(2S,3S)-nemonapride
Definition
An optically active form of nemonapride having (2
S
,3
S
)-configuration.
Stars
This entity has been manually annotated by the ChEBI Team.
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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 (Br
o
nsted acid).
(via
organic amino compound
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(2
S
,3
S
)-nemonapride (
CHEBI:64218
)
is a
N
-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide (
CHEBI:64217
)
(2
S
,3
S
)-nemonapride (
CHEBI:64218
)
is enantiomer of
(2
R
,3
R
)-nemonapride (
CHEBI:64219
)
Incoming
nemonapride (
CHEBI:31899
)
has part
(2
S
,3
S
)-nemonapride (
CHEBI:64218
)
(2
R
,3
R
)-nemonapride (
CHEBI:64219
)
is enantiomer of
(2
S
,3
S
)-nemonapride (
CHEBI:64218
)
IUPAC Name
N
-
[(2
S
,3
S
)-
1-
benzyl-
2-
methylpyrrolidin-
3-
yl]-
5-
chloro-
2-
methoxy-
4-
(methylamino)benzamide
Synonyms
Sources
(−)-nemonapride
ChEBI
(2
S
,3
S
)-emonapride
ChEBI
(2
S
-
cis
)-
5-
chloro-
2-
methoxy-
4-
(methylamino)-
N
-
[2-
methyl-
1-
(phenylmethyl)-
3-
pyrrolidinyl]benzamide
ChEBI
5-
chloro-
2-
methoxy-
4-
(methylamino)-
N
-
[(2
S
,3
S
)-
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