Quinine Acetate
[CAS# 18797-86-9]

Identification

• Name: Quinine Acetate
• Synonyms: [(R)-(6-Methoxy-4-Quinolyl)-[(2S,4R,5R)-5-Vinylquinuclidin-2-Yl]Methyl] Acetate; Acetic Acid [(R)-(6-Methoxy-4-Quinolyl)-[(2S,4R,5R)-5-Vinyl-2-Quinuclidinyl]Methyl] Ester; Acetic Acid [(R)-(6-Methoxy-4-Quinolyl)-[(2S,4R,5R)-5-Vinylquinuclidin-2-Yl]Methyl] Ester
• Molecular Formula: C₂₂H₂₆N₂O₃
• Molecular Weight: 366.46
• CAS Registry Number: 18797-86-9
• SMILES: [C@@H](C1=CC=NC2=CC=C(C=C12)OC)([C@H]3N4C[C@@H]([C@@H](C3)CC4)C=C)OC(=O)C
• InChI: 1S/C22H26N2O3/c1-4-15-13-24-10-8-16(15)11-21(24)22(27-14(2)25)18-7-9-23-20-6-5-17(26-3)12-19(18)20/h4-7,9,12,15-16,21-22H,1,8,10-11,13H2,2-3H3/t15-,16+,21-,22+/m0/s1
• InChIKey: LBXIBQQYUBUMMK-VYXDICFBSA-N

Properties

• Density: 1.204g/cm³ (Cal.)
• Boiling point: 496.24°C at 760 mmHg (Cal.)
• Flash point: 253.917°C (Cal.)