(8alpha,9R)-6-Methoxy-cinchonan-9-ol compd. with 2-carboxyphenyl-2-hydroxybenzoate (1:2)
[CAS# 117-72-6]

Identification

• Name: (8alpha,9R)-6-Methoxy-cinchonan-9-ol compd. with 2-carboxyphenyl-2-hydroxybenzoate (1:2)
• Synonyms: 3-(2-Carboxyphenyl)-2-Hydroxy-Benzoic Acid; (6-Methoxy-4-Quinolyl)-(5-Vinylquinuclidin-2-Yl)Methanol; 3-(2-Carboxyphenyl)-2-Hydroxybenzoic Acid; (6-Methoxy-4-Quinolyl)-(5-Vinyl-2-Quinuclidinyl)Methanol; 3-(2-Carboxyphenyl)-2-Hydroxy-Benzoic Acid; (5-Ethenyl-1-Azabicyclo[2.2.2]Octan-7-Yl)-(6-Methoxyquinolin-4-Yl)Methanol
• Molecular Formula: C₃₄H₃₄N₂O₇
• Molecular Weight: 582.65
• CAS Registry Number: 117-72-6
• SMILES: C3=C(C(O)C1N2CC(C(C1)CC2)C=C)C4=C(N=C3)C=CC(=C4)OC.C5=CC=C(C(=C5C6=CC=CC=C6C(=O)O)O)C(=O)O
• InChI: 1S/C20H24N2O2.C14H10O5/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;15-12-9(6-3-7-11(12)14(18)19)8-4-1-2-5-10(8)13(16)17/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1-7,15H,(H,16,17)(H,18,19)
• InChIKey: JEEICWWIGOTZGD-UHFFFAOYSA-N

Properties

• Boiling point: 495.9°C at 760 mmHg (Cal.)
• Flash point: 253.7°C (Cal.)