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 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
Covalently-Bonded Unit Count
4
Defined Atom Stereocenter 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
Topological Polar Surface Area
47.6 Ų