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quinine sulfate dihydrate

Go to external page http://purl.obolibrary.org/obo/CHEBI_52251

Term info

Label

quinine sulfate dihydrate

Synonyms
  • bis[(8alpha,9R)-6'-methoxycinchonan-9-ol] sulfate dihydrate
database cross reference
Subsets

3_STAR

IUPAC NAME
bis[(8alpha,9R)-6'-methoxycinchonan-9-ol] sulfate dihydrate [ IUPAC ]

charge

0

formula

C40H54N4O10S

has obo namespace

chebi_ontology

has related synonym

Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, sulfate(2:1) (salt), dihydrate, 6'-Methoxycinchonan-9-ol sulfate dihydrate, (8alpha,9R)-,(2:1) (salt), Qualaquin

id

CHEBI:52251

inchi

InChI=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

inchikey

ZHNFLHYOFXQIOW-LPYZJUEESA-N

mass

782.94300

monoisotopicmass

782.35607

smiles

[H+].[H+].O.O.[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

Term relations

Subclass of: