(S)-(6-Methoxy-1-Oxido-4-Quinolinyl)[(2R,5R)-5-Vinyl-1-Azabicyclo[2.2.2]Oct-2-Yl]Methanol
[CAS# 115730-97-7]

Identification

• Name: (S)-(6-Methoxy-1-Oxido-4-Quinolinyl)[(2R,5R)-5-Vinyl-1-Azabicyclo[2.2.2]Oct-2-Yl]Methanol
• Synonyms: Quinidine 1'-Oxide
• Molecular Formula: C₂₀H₂₄N₂O₃
• Molecular Weight: 340.42
• CAS Registry Number: 115730-97-7
• SMILES: COc1ccc2c(c1)c(cc[n+]2[O-])[C@@H]([C@H]3CC4CCN3C[C@@H]4C=C)O
• InChI: 1S/C20H24N2O3/c1-3-13-12-21-8-6-14(13)10-19(21)20(23)16-7-9-22(24)18-5-4-15(25-2)11-17(16)18/h3-5,7,9,11,13-14,19-20,23H,1,6,8,10,12H2,2H3/t13-,14?,19+,20-/m0/s1
• InChIKey: GBBIANHNFAPFOH-NBGVHYBESA-N

Properties

• Density: 1.303g/cm³ (Cal.)
• Boiling point: 529.638°C at 760 mmHg (Cal.)
• Flash point: 274.116°C (Cal.)
• Refractive index: 1.649 (Cal.)