CHEBI:50178 - chloroquine sulfate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name chloroquine sulfate
ChEBI ID CHEBI:50178
Stars This entity has been manually annotated by the ChEBI Team.
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Formulae C18H26ClN3.H2O4S
C18H28ClN3O4S
Net Charge 0
Average Mass 417.95144
Monoisotopic Mass 417.14891
InChI InChI=1S/C18H26ClN3.H2O4S/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;1-5(2,3)4/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);(H2,1,2,3,4)
InChIKey OJPWHUOVKVKBQB-UHFFFAOYSA-N
SMILES [H+].[H+].[O-]S([O-])(=O)=O.CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
ChEBI Ontology
Outgoing chloroquine sulfate (CHEBI:50178) has part chloroquine (CHEBI:3638)
chloroquine sulfate (CHEBI:50178) is a alkaloid sulfate salt (CHEBI:38013)
IUPAC Name
N4-(7-chloroquinolin-4-yl)-N1,N1-diethylpentane-1,4-diamine sulfate
Synonyms Sources
Chloroquin sulfate ChemIDplus
Chloroquine sulphate ChemIDplus
Chlorquine sulfate ChemIDplus
Brand Name Source
Nivaquine DrugBank
Manual Xref Database
DB00608 DrugBank
View more database links
Registry Number Type Source
132-73-0 CAS Registry Number ChemIDplus
Last Modified
24 July 2008