Bis[(1beta,9S)-9-hydroxy-6'-methoxy-10,11-dihydrocinchonan-1-ium] sulfate
[CAS# 85909-61-1]

Identification

• Name: Bis[(1beta,9S)-9-hydroxy-6'-methoxy-10,11-dihydrocinchonan-1-ium] sulfate
• Synonyms: bis[(9S)-10,11-dihydro-9-hydroxy-6'-methoxycinchonanium] sulphate
• Molecular Formula: C₄₀H₅₄N₄O₈S
• Molecular Weight: 750.94
• CAS Registry Number: 85909-61-1
• EINECS: 288-866-8
• SMILES: [O-]S([O-])(=O)=O.CC[C@H]4C[N@H+]1CC[C@H]4C[C@@H]1[C@@H](O)c3ccnc2ccc(OC)cc23.CC[C@H]4C[N@H+]1CC[C@H]4C[C@@H]1[C@@H](O)c2ccnc3ccc(cc23)OC
• InChI: 1S/2C20H26N2O2.H2O4S/c2*1-3-13-12-22-9-7-14(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/h2*4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3;(H2,1,2,3,4)/t2*13-,14-,19+,20-;/m00./s1
• InChIKey: XQPSXUWILZCWMQ-VCSAERELSA-N

Properties

• Boiling point: 914°C at 760 mmHg (Cal.)
• Flash point: 506.6°C (Cal.)