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CHEBI:131327 - amodiaquine(1+)

ChEBI IDCHEBI:131327
ChEBI Nameamodiaquine(1+)
Stars
DefinitionAn organic cation obtained by protonation of the tertiary amino group of amodiaquine; major species at pH 7.3.
Last Modified8 April 2016
SubmitterAnne Morgat
DownloadsMolfile
FormulaC20H23ClN3O
Net Charge+1
Average Mass356.877
Monoisotopic Mass356.15242
SMILESCC[NH+](CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O
InChIInChI=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
InChIKeyOVCDSSHSILBFBN-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
amodiaquine (CHEBI:2674) is conjugate base of amodiaquine(1+) (CHEBI:131327)
Synonym  Source
amodiaquine cationChEBI
UniProt Name  Source
amodiaquineUniProt
Citations