quinine sulfate
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http://purl.obolibrary.org/obo/CHEBI_52250
A organic sulfate salt obtained from guanethidine and sulfuric acid in a 2:1 ratio.
Term info
Label
quinine sulfate
Synonyms
- bis[(8alpha,9R)-6'-methoxycinchonan-9-ol] sulfate
database cross reference
- Beilstein:3582804 (Beilstein)
- CAS:804-63-7 (ChemIDplus)
- DrugBank:DB00468
- Reaxys:3582804 (Reaxys)
Subsets
3_STAR
charge
0
formula
C40H50N4O8S
has obo namespace
chebi_ontology
has related synonym
Quinine bisulfate, Quinine sulfate anhydrous, Quinine hydrogen sulfate, Quinine sulfate (2:1)
id
CHEBI:52250
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
mass
746.91200
monoisotopicmass
746.33494
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
Term relations
Subclass of:
- organic sulfate salt
- has part some quinine
- has part some quinine(1+)
- has role some antimalarial
Related from: