CHEBI:149484 - chloroquine(2+)

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ChEBI Name chloroquine(2+) ChEBI ID CHEBI:149484 Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Submitter Bijay Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C18H28ClN3 Net Charge +2 Average Mass 321.890 Monoisotopic Mass 321.19608 InChI InChI=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 InChIKey WHTVZRBIWZFKQO-UHFFFAOYSA-P SMILES [NH+]1=CC=C(C=2C1=CC(Cl)=CC2)NC(CCC[NH+](CC)CC)C ChEBI Ontology Outgoing 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 chloroquine (CHEBI:3638) is conjugate base of chloroquine(2+) (CHEBI:149484) IUPAC Name 7-chloro-4-{[5-(diethylazaniumyl)pentan-2-yl]amino}quinolinium Synonyms Sources chloroquine dication ChEBI di-protonated chloroquine ChEBI Citation Type Source 25693996 PubMed citation Europe PMC Last Modified 22 April 2020