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CHEBI:131327 - amodiaquine(1+)
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ChEBI Ontology
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ChEBI Name
amodiaquine(1+)
ChEBI ID
CHEBI:131327
Definition
An organic cation obtained by protonation of the tertiary amino group of amodiaquine; major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Anne Morgat
Supplier Information
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Formula
C20H23ClN3O
Net Charge
+1
Average Mass
356.870
Monoisotopic Mass
356.15242
InChI
InChI=1S/C20H22ClN3O/c1-
3-
24(4-
2)
13-
14-
11-
16(6-
8-
20(14)
25)
23-
18-
9-
10-
22-
19-
12-
15(21)
5-
7-
17(18)
19/h5-
12,25H,3-
4,13H2,1-
2H3,(H,22,23)
/p+1
InChIKey
OVCDSSHSILBFBN-UHFFFAOYSA-O
SMILES
C12=CC(=CC=C1C(=CC=N2)NC3=CC(=C(C=C3)O)C[NH+](CC)CC)Cl
ChEBI Ontology
Outgoing
amodiaquine(1+) (
CHEBI:131327
)
is a
ammonium ion derivative (
CHEBI:35274
)
amodiaquine(1+) (
CHEBI:131327
)
is a
organic cation (
CHEBI:25697
)
amodiaquine(1+) (
CHEBI:131327
)
is conjugate acid of
amodiaquine (
CHEBI:2674
)
Incoming
amodiaquine (
CHEBI:2674
)
is conjugate base of
amodiaquine(1+) (
CHEBI:131327
)
Synonyms
Sources
amodiaquine
UniProt
amodiaquine cation
ChEBI
Citation
Type
Source
26427316
PubMed citation
SUBMITTER
Last Modified
08 April 2016