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CHEBI:50178 - chloroquine sulfate

ChEBI IDCHEBI:50178
ChEBI Namechloroquine sulfate
Stars
Last Modified24 July 2008
SubmitterMarcus Ennis
DownloadsMolfile
Formula2H.C18H26ClN3.O4S
Net Charge0
Average Mass417.959
Monoisotopic Mass417.14891
SMILESCCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)([O-])[O-].[H+].[H+]
InChIInChI=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)
InChIKeyOJPWHUOVKVKBQB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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  Source
Chloroquin sulfateChemIDplus
Chloroquine sulphateChemIDplus
Chlorquine sulfateChemIDplus
Brand Name  Source
NivaquineDrugBank
Manual XrefsDatabases
DB00608DrugBank
Registry NumbersSources
CAS:132-73-0ChemIDplus