Quinine Hydrochloride Dihydrate

Analyte Name

Quinine monohydrochloride dihydrate

CAS Number

6119-47-7

Molecular Formula

C20 H24 N2 O2 . Cl H . 2 H2 O

Molecular Weight

396.91

Accurate Mass

396.1816

Flash Point

0

SMILES

O.O.Cl.COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1

InChI

InChI=1S/C20H24N2O2.ClH.2H2O/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;;;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H;2*1H2/t13-,14-,19-,20+;;;/m0.../s1

IUPAC

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

Alternate CAS Number

Free base: 130-95-0

Storage Temperature

+5°C

Shipping Temperature

Room Temperature

Country of Origin

GERMANY

Tariff Code

29339980

Product Type

API; Impurity

Product Format

Neat

API Family

Quinidine Sulfate; Quinine Hydrochloride