CHEBI:149564 - hydroxychloroquine(2+)

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ChEBI Name hydroxychloroquine(2+) ChEBI ID CHEBI:149564 Definition A 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. 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 C18H28ClN3O Net Charge +2 Average Mass 337.890 Monoisotopic Mass 337.19099 InChI InChI=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 InChIKey XXSMGPRMXLTPCZ-UHFFFAOYSA-P SMILES C=12C(NC(CCC[NH+](CCO)CC)C)=CC=[NH+]C1C=C(C=C2)Cl ChEBI Ontology Outgoing 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 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 dication SUBMITTER Citation Type Source 25693996 PubMed citation Europe PMC Last Modified 24 April 2020