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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
No supplier information found for this compound.
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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