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loading...| Preferred Name |
chloroquine sulfate |
|
| Synonyms |
N(4)-(7-chloroquinolin-4-yl)-N(1),N(1)-diethylpentane-1,4-diamine sulfate Chloroquine sulphate Chlorquine sulfate Chloroquin sulfate Nivaquine |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_50178 |
|
| charge |
0 |
|
| database_cross_reference |
CAS:132-73-0 DrugBank:DB00608 |
|
| formula |
C18H28ClN3O4S C18H26ClN3.H2O4S |
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| has part | ||
| has_exact_synonym |
N(4)-(7-chloroquinolin-4-yl)-N(1),N(1)-diethylpentane-1,4-diamine sulfate |
|
| has_obo_namespace |
chebi_ontology |
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| has_related_synonym |
Chloroquine sulphate Chlorquine sulfate Chloroquin sulfate Nivaquine |
|
| id |
CHEBI:50178 |
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| in_subset | ||
| 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 |
|
| label |
chloroquine sulfate |
|
| mass |
417.95144 |
|
| monoisotopicmass |
417.14891 |
|
| notation |
CHEBI:50178 |
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| prefLabel |
chloroquine sulfate |
|
| smiles |
[H+].[H+].[O-]S([O-])(=O)=O.CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 |
|
| subClassOf |
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