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ChEBI
> Main
CHEBI:31408 - Clebopride malate
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ChEBI Ontology
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ChEBI Name
Clebopride malate
ChEBI ID
CHEBI:31408
Stars
This entity has been manually annotated by a third party.
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Formulae
C20H25ClN3O2.C4H5O5
C24H30ClN3O7
Net Charge
0
Average Mass
507.965
Monoisotopic Mass
507.17723
InChI
InChI=1S/C20H24ClN3O2.C4H6O5/c1-
26-
19-
12-
18(22)
17(21)
11-
16(19)
20(25)
23-
15-
7-
9-
24(10-
8-
15)
13-
14-
5-
3-
2-
4-
6-
14;5-
2(4(8)
9)
1-
3(6)
7/h2-
6,11-
12,15H,7-
10,13,22H2,1H3,(H,23,25)
;2,5H,1H2,(H,6,7)
(H,8,9)
InChIKey
NYNKCGWJPNZJMI-UHFFFAOYSA-N
SMILES
C1=CC=C(C=C1)C[NH+]2CCC(CC2)NC(=O)C3=CC(=C(C=C3OC)N)Cl.C(C(C(=O)[O-])O)C(=O)O
ChEBI Ontology
Outgoing
Clebopride malate (
CHEBI:31408
)
is a
piperidines (
CHEBI:26151
)
Synonym
Source
Clebopride malate
KEGG COMPOUND
Manual Xref
Database
D01742
KEGG DRUG
View more database links
Registry Number
Type
Source
57645-91-7
CAS Registry Number
KEGG COMPOUND
Last Modified
06 March 2017