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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:50178 - chloroquine sulfate
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ChEBI Ontology
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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
N
4
-
(7-
chloroquinolin-
4-
yl)-
N
1
,
N
1
-
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