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chloroquine sulfate

Go to external page http://purl.obolibrary.org/obo/CHEBI_50178

Term info

Label

chloroquine sulfate

Synonyms
  • N(4)-(7-chloroquinolin-4-yl)-N(1),N(1)-diethylpentane-1,4-diamine sulfate
database cross reference
Subsets

3_STAR

IUPAC NAME
N(4)-(7-chloroquinolin-4-yl)-N(1),N(1)-diethylpentane-1,4-diamine sulfate [ IUPAC ]

BRAND NAME
Nivaquine [ DrugBank ]

charge

0

formula

C18H28ClN3O4S, C18H26ClN3.H2O4S

has obo namespace

chebi_ontology

has related synonym

Chlorquine sulfate, Chloroquin sulfate, Chloroquine sulphate, Nivaquine

id

CHEBI:50178

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

mass

417.95144

monoisotopicmass

417.14891

smiles

[H+].[H+].[O-]S([O-])(=O)=O.CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12

Term relations