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CHEBI:754781 - quinine bisulfate

Default Structure
ChEBI IDCHEBI:754781
ChEBI Namequinine bisulfate
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaH2O4S.C20H24N2O2.H2O4S
Net Charge0
Average Mass520.582
Monoisotopic Mass520.11854
SMILESO=S(=O)(O)O.O=S(=O)(O)O.[H][C@]1(C=C)CN2CC[C@H]1C[C@@]2([H])[C@]([H])(O)c1ccnc2ccc(OC)cc12
InChIInChI=1S/C20H24N2O2.2H2O4S/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;2*1-5(2,3)4/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2*(H2,1,2,3,4)/t13-,14-,19-,20+;;/m0../s1
InChIKeyAMEXZRFCGITZNZ-HZQSTTLBSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
quinine bisulfate (CHEBI:754781) is a cinchona alkaloid (CHEBI:51323)
Synonyms  Source
Anhydrous quinine bisulfateChEMBL
BiquinateChEMBL
FEMA NO. 2975ChEMBL
Quinine bisulfate anhydrousChEMBL
Quinine bisulphate heptahydrateChEMBL
Quinine, sulfate (1:1) (salt)ChEMBL