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CHEBI:149564 - hydroxychloroquine(2+)

ChEBI IDCHEBI:149564
ChEBI Namehydroxychloroquine(2+)
Stars
DefinitionA quinolinium ion obtained by protonation of the quinoline nitrogen and tertiary amino group of the antimalarial drug hydroxychloroquine. It is the major species at pH 7.3.
Last Modified24 April 2020
SubmitterBijay
DownloadsMolfile
FormulaC18H28ClN3O
Net Charge+2
Average Mass337.895
Monoisotopic Mass337.19099
SMILESCC[NH+](CCO)CCCC(C)Nc1cc[nH+]c2cc(Cl)ccc12
InChIInChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)/p+2
InChIKeyXXSMGPRMXLTPCZ-UHFFFAOYSA-P
ChEBI Ontology
Outgoing Relation(s)
hydroxychloroquine(2+) (CHEBI:149564) is a quinolinium ion (CHEBI:52837)
hydroxychloroquine(2+) (CHEBI:149564) is a tertiary ammonium ion (CHEBI:137982)
hydroxychloroquine(2+) (CHEBI:149564) is conjugate acid of hydroxychloroquine (CHEBI:5801)
Incoming Relation(s)
hydroxychloroquine (CHEBI:5801) is conjugate base of hydroxychloroquine(2+) (CHEBI:149564)
IUPAC Name 
7-chloro-4-({5-[ethyl(2-hydroxyethyl)azaniumyl]pentan-2-yl}amino)quinolinium
Synonym  Source
hydroxychloroquine dicationSUBMITTER
Citations