Terminology Service for NFDI4Health

quinine sulfate

Go to external page 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

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

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