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CHEBI:149484 - chloroquine(2+)

ChEBI IDCHEBI:149484
ChEBI Namechloroquine(2+)
Stars
DefinitionA quinolinium ion obtained by protonation of the quinoline nitrogen and tertiary amino group of the antimalarial drug chloroquine. It is the major species at pH 7.3.
Last Modified22 April 2020
SubmitterBijay
DownloadsMolfile
FormulaC18H28ClN3
Net Charge+2
Average Mass321.896
Monoisotopic Mass321.19608
SMILESCC[NH+](CC)CCCC(C)Nc1cc[nH+]c2cc(Cl)ccc12
InChIInChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)/p+2
InChIKeyWHTVZRBIWZFKQO-UHFFFAOYSA-P
ChEBI Ontology
Outgoing Relation(s)
chloroquine(2+) (CHEBI:149484) is a quinolinium ion (CHEBI:52837)
chloroquine(2+) (CHEBI:149484) is a tertiary ammonium ion (CHEBI:137982)
chloroquine(2+) (CHEBI:149484) is conjugate acid of chloroquine (CHEBI:3638)
Incoming Relation(s)
chloroquine (CHEBI:3638) is conjugate base of chloroquine(2+) (CHEBI:149484)
IUPAC Name 
7-chloro-4-{[5-(diethylazaniumyl)pentan-2-yl]amino}quinolinium
Synonyms  Source
di-protonated chloroquineChEBI
chloroquine dicationChEBI
Citations