(8alpha,9R)-6'-Methoxycinchonan-9-ol sulfate (2:1)
[CAS# 85135-87-1]

Identification

• Name: (8alpha,9R)-6'-Methoxycinchonan-9-ol sulfate (2:1)
• Synonyms: bis[(8α,9R)-6'-methoxycinchonan-9-ol] sulfate; bis[(8α,9R)-9-hydroxy-6'-methoxycinchonanium] sulphate; Qualaquin
• Molecular Formula: C₄₀H₅₀N₄O₈S
• Molecular Weight: 746.91
• CAS Registry Number: 85135-87-1
• EINECS: 285-707-4
• SMILES: COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O.COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O.OS(=O)(=O)O
• InChI: 1S/2C20H24N2O2.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*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4)/t2*13-,14-,19-,20+;/m00./s1
• InChIKey: RONWGALEIBILOG-VMJVVOMYSA-N

References

• (1): Martín Pérez-Andrés, Juan J. Benito, Emilio Rodríguez-Fernández, Bruna Corradetti, Daniel Primo, Juan L. Manzano, Alberto Orfao and Julio J. Criado. Bisursodeoxycholate(ethylenediamine)platinum(ii): a new autofluorescent compound. Cytotoxic activity and cell cycle analysis in ovarian and hematological cell lines, Dalton Trans., 2008, 6159.