CHEBI:52250 - quinine sulfate

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ChEBI Name quinine sulfate
ChEBI ID CHEBI:52250
Definition A organic sulfate salt obtained from guanethidine and sulfuric acid in a 2:1 ratio.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C40H50N4O8S
Net Charge 0
Average Mass 746.91200
Monoisotopic Mass 746.33494
InChI InChI=1S/2C20H24N2O2.H2O4S/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4)/t2*13-,14-,19-,20+;/m00./s1
InChIKey RONWGALEIBILOG-VMJVVOMYSA-N
SMILES [H+].[H+].[O-]S([O-])(=O)=O.[H][C@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@H](O)c1ccnc2ccc(OC)cc12.[H][C@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@H](O)c1ccnc2ccc(OC)cc12
Roles Classification
Biological Role(s): antimalarial
A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
Application(s): antimalarial
A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing quinine sulfate (CHEBI:52250) has part quinine (CHEBI:15854)
quinine sulfate (CHEBI:52250) has part quinine(1+) (CHEBI:137041)
quinine sulfate (CHEBI:52250) has role antimalarial (CHEBI:38068)
quinine sulfate (CHEBI:52250) is a organic sulfate salt (CHEBI:51337)
Incoming quinine sulfate dihydrate (CHEBI:52251) has part quinine sulfate (CHEBI:52250)
IUPAC Name
bis[(8α,9R)-6'-methoxycinchonan-9-ol] sulfate
Synonyms Sources
Quinine bisulfate ChemIDplus
Quinine hydrogen sulfate ChemIDplus
Quinine sulfate (2:1) ChemIDplus
Quinine sulfate anhydrous ChemIDplus
Manual Xref Database
DB00468 DrugBank
View more database links
Registry Numbers Types Sources
3582804 Beilstein Registry Number Beilstein
3582804 Reaxys Registry Number Reaxys
804-63-7 CAS Registry Number ChemIDplus
Last Modified
01 December 2011