[(5R,7R)-5-Ethyl-7-[(S)-Hydroxy-(6-Methoxyquinolin-4-Yl)Methyl]-1-Azabicyclo[2.2.2]Oct-5-Yl] Acetate
[CAS# 85365-53-3]

Identification

• Name: [(5R,7R)-5-Ethyl-7-[(S)-Hydroxy-(6-Methoxyquinolin-4-Yl)Methyl]-1-Azabicyclo[2.2.2]Oct-5-Yl] Acetate
• Synonyms: [(3R,6R)-3-Ethyl-6-[(S)-Hydroxy-(6-Methoxy-4-Quinolyl)Methyl]Quinuclidin-3-Yl] Acetate; Acetic Acid [(3R,6R)-3-Ethyl-6-[(S)-Hydroxy-(6-Methoxy-4-Quinolyl)Methyl]-3-Quinuclidinyl] Ester; Acetic Acid [(3R,6R)-3-Ethyl-6-[(S)-Hydroxy-(6-Methoxy-4-Quinolyl)Methyl]Quinuclidin-3-Yl] Ester
• Molecular Formula: C₂₂H₂₈N₂O₄
• Molecular Weight: 384.47
• CAS Registry Number: 85365-53-3
• SMILES: [C@H](C2=C1C=C(C=CC1=NC=C2)OC)([C@@H]4N3C[C@](C(CC3)C4)(CC)OC(=O)C)O
• InChI: 1S/C22H28N2O4/c1-4-22(28-14(2)25)13-24-10-8-15(22)11-20(24)21(26)17-7-9-23-19-6-5-16(27-3)12-18(17)19/h5-7,9,12,15,20-21,26H,4,8,10-11,13H2,1-3H3/t15?,20-,21+,22+/m1/s1
• InChIKey: OAUDKHPYEZVLMK-OEHXVTRGSA-N

Properties

• Density: 1.256g/cm³ (Cal.)
• Boiling point: 537.597°C at 760 mmHg (Cal.)
• Flash point: 278.929°C (Cal.)