(S)-[(1R,2R,4S,5R)-5-ethylquinuclidin-1-ium-2-yl]-(6-methoxy-4-quinolyl)methanol sulfate
[CAS# 85909-60-0]

Identification

• Name: (S)-[(1R,2R,4S,5R)-5-ethylquinuclidin-1-ium-2-yl]-(6-methoxy-4-quinolyl)methanol sulfate
• Synonyms: (9S)-10,11-dihydro-9-hydroxy-6'-methoxycinchonanium hydrogen sulphate
• Molecular Formula: C₂₀H₂₇N₂O₆S
• Molecular Weight: 423.50
• CAS Registry Number: 85909-60-0
• EINECS: 288-865-2
• SMILES: [O-]S([O-])(=O)=O.CC[C@H]4C[N@H+]1CC[C@H]4C[C@@H]1[C@@H](O)c2ccnc3ccc(cc23)OC
• InChI: 1S/C20H26N2O2.H2O4S/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;1-5(2,3)4/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3;(H2,1,2,3,4)/p-1/t13-,14-,19+,20-;/m0./s1
• InChIKey: UILYWSTXWSWANK-VJAUXQICSA-M

Properties

• Boiling point: 649.1°C at 760 mmHg (Cal.)
• Flash point: 346.4°C (Cal.)