Quinine sulfate dihydrate

Overview

IDCS-064EFD6D3EF3

CAS RN6119-70-6

Synonyms QUININE SULFATE DIHYDRATE
207671-44-1
6119-70-6
Quinine hemisulfate salt monohydrate
Quinine sulfate hydrate
Quinine sulfate (2:1) (salt) dihydrate
DTXSID0048979
Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, sulfate, hydrate (2:1:2)
MFCD00150792
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;dihydrate More…

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Identification

Molecular FormulaC40H54N4O10S

Molecular Weight782.9 g/mol

CAS Number6119-70-6

IUPAC Name

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

COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.O.O.OS(=O)(=O)O

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

ZHNFLHYOFXQIOW-LPYZJUEESA-N