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CHEBI:52251 - quinine sulfate dihydrate

ChEBI IDCHEBI:52251
ChEBI Namequinine sulfate dihydrate
Stars
Last Modified25 March 2009
SubmitterInma Spiteri
DownloadsMolfile
Formula2H.2C20H24N2O2.2H2O.O4S
Net Charge0
Average Mass782.957
Monoisotopic Mass782.35606
SMILESO.O.O=S(=O)([O-])[O-].[H+].[H+].[H][C@@]1([C@H](O)c2ccnc3ccc(OC)cc23)C[C@@H]2CC[N@@]1C[C@@H]2C=C.[H][C@@]1([C@H](O)c2ccnc3ccc(OC)cc23)C[C@@H]2CC[N@@]1C[C@@H]2C=C
InChIInChI=1S/2C20H24N2O2.H2O4S.2H2O/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);2*1H2/t2*13-,14-,19-,20+;;;/m00.../s1
InChIKeyZHNFLHYOFXQIOW-LPYZJUEESA-N
ChEBI Ontology
Outgoing Relation(s)
quinine sulfate dihydrate (CHEBI:52251) has part quinine sulfate (CHEBI:52250)
quinine sulfate dihydrate (CHEBI:52251) is a hydrate (CHEBI:35505)
IUPAC Name 
bis[(8α,9R)-6'-methoxycinchonan-9-ol] sulfate dihydrate
Synonyms  Source
6'-Methoxycinchonan-9-ol sulfate dihydrate, (8α,9R)-,(2:1) (salt)ChemIDplus
Cinchonan-9-ol, 6'-methoxy-, (8α,9R)-, sulfate(2:1) (salt), dihydrateChemIDplus
QualaquinChemIDplus
Manual XrefsDatabases
D02262KEGG DRUG
DB00468DrugBank
Registry NumbersSources
Beilstein:6113937Beilstein
CAS:6119-70-6ChemIDplus