Quinine Hydrochloride Dihydrate

• Catalog Number: ACM6119477
• Product Name: Quinine Hydrochloride Dihydrate
• CAS: 6119-47-7
• Category: Inhibitors
• Description: Quinine hydrochloride dihydrate (Qualaquin) is an orally active and can be used in anti-malarial studies. Quinine hydrochloride dihydrate is a potassium channel inhibitor that inhibits WT mouse Slo3 (KCa5.1) channel currents evoked by voltage pulses to +100 mV with an IC50 of 169 μM.
• Synonyms: (8α, 9R)-6′-Methoxycinchonan-9-ol monohydrochloride dihydrate
• IUPAC Name: (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrate;hydrochloride
• Molecular Weight: 396.9
• Molecular Formula: C20H29ClN2O4
• Canonical SMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.O.O.Cl
• InChI: InChI=1S/C20H24N2O2.ClH.2H₂O/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;1H;2*1H2/t13-,14-,19-,20+;/m0./s1
• InChI Key: MPQKYZPYCSTMEI-FLZPLBAKSA-N
• Melting Point: 115-116 °C
• Application: Antiprotozoal (malaria).
• Storage: Store at -20°C
• Complexity: 457
• Covalently-Bonded Unit Count: 4
• Defined Atom Stereocenter Count: 4
• EC Number: 612-097-2
• Exact Mass: 396.1815851
• H-Bond Acceptor: 6
• H-Bond Donor: 4
• Heavy Atom Count: 27
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 4
• Isomeric SMILES: COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.O.O.Cl
• Monoisotopic Mass: 396.1815851
• Physical State: Powder
• Rotatable Bond Count: 4
• Topological Polar Surface Area: 47.6 Ų
• UNII: 711S8Y0T33