(8alpha,9R)-6'-Methoxycinchonan-9-Ol
[CAS# 549-50-8]

Identification

• Name: (8alpha,9R)-6'-Methoxycinchonan-9-Ol
• Synonyms: (-)-Quinine; (8S,9R)-QUININE
• Molecular Formula: C₂₀H₂₄N₂O₂
• Molecular Weight: 324.42
• CAS Registry Number: 549-50-8
• EINECS: 208-968-8
• SMILES: COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O
• InChI: 1S/C20H24N2O2/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/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1
• InChIKey: LOUPRKONTZGTKE-WZBLMQSHSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Melting point: 174-178°C (Expl.)
• Boiling point: 495.9±40.0°C at 760 mmHg (Cal.)
• Flash point: 253.7±27.3°C (Cal.)
• solubility: MeOH

Safety Data

• Safety Description: Harmful/Irritant/Light Sensitive/Hygroscopic/Store under Argon

References

• (1): Kato et al.. Gene expression signatures and small molecule compounds link a protein kinase to Plasmodium falciparum motility, Nature Chemical Biology, 2008