Quinine Iodosulfate
[CAS# 7631-46-1]

Identification

• Name: Quinine Iodosulfate
• Synonyms: (R)-(6-Methoxy-4-Quinolyl)-[(2S,4S,5R)-5-Vinylquinuclidin-2-Yl]Methanol; Sulfuric Acid; Tetratriiodide; (R)-(6-Methoxy-4-Quinolyl)-[(2S,4S,5R)-5-Vinyl-2-Quinuclidinyl]Methanol; Sulfuric Acid; Tetratriiodide
• Molecular Formula: C₆₀H₈₄I₁₂N₆O₃₀S₆
• Molecular Weight: 3084.56
• CAS Registry Number: 7631-46-1
• EINECS: 231-544-9
• SMILES: [I-](I)I.[I-](I)I.[I-](I)I.[I-](I)I.[S](O)(O)(=O)=O.[S](O)(O)(=O)=O.[S](O)(O)(=O)=O.[S](O)(O)(=O)=O.[S](O)(O)(=O)=O.O[C@@H]([C@H]1N2C[C@@H]([C@H](C1)CC2)C=C)C3=C4C(=NC=C3)C=CC(=C4)OC.O[C@@H]([C@H]5N6C[C@@H]([C@H](C5)CC6)C=C)C7=C8C(=NC=C7)C=CC(=C8)OC.O[C@@H]([C@H]9N%10C[C@@H]([C@H](C9)CC%10)C=C)C%11=C%12C(=NC=C%11)C=CC(=C%12)OC.O=[S](O)(O)=O
• InChI: 1S/3C20H24N2O2.4I3.6H2O4S/c3*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;4*1-3-2;6*1-5(2,3)4/h3*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;;;;;6*(H2,1,2,3,4)/q;;;4*-1;;;;;;/t3*13-,14-,19-,20+;;;;;;;;;;/m000........../s1
• InChIKey: RVSIFMMVUGYDOE-RSBHKSPGSA-N