Analyte Name

Quinine sulfate dihydrate

CAS Number

207671-44-1

Molecular Formula

2 C20 H24 N2 O2 . 2 H2 O . H2 O4 S

Molecular Weight

782.94

Accurate Mass

782.3561

SMILES

O.O.COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.COc5ccc6nccc([C@@H](O)[C@@H]7C[C@@H]8CCN7C[C@@H]8C=C)c6c5.OS(=O)(=O)O

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

IUPAC

(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;dihydrate

Alternate CAS Number

Free base: 130-95-0 (2:1:4): 6119-70-6

Storage Temperature

2-8C Fridge/Coldroom

Shipping Temperature

Room Temperature

Country of Origin

UNITED KINGDOM

Tariff Code

29392000

Product Type

API

Product Format

Neat

API Family

Quinine Sulfate

Analytical Method

Monograph only