Quinine hydrochlorideProduct ingredient for Quinine
- Name
- Quinine hydrochloride
- Drug Entry
- Quinine
An alkaloid derived from the bark of the cinchona tree. It is used as an antimalarial drug, and is the active ingredient in extracts of the cinchona that have been used for that purpose since before 1633. Quinine is also a mild antipyretic and analgesic and has been used in common cold preparations for that purpose. It was used commonly and as a bitter and flavoring agent, and is still useful for the treatment of babesiosis. Quinine is also useful in some muscular disorders, especially nocturnal leg cramps and myotonia congenita, because of its direct effects on muscle membrane and sodium channels. The mechanisms of its antimalarial effects are not well understood.
- Accession Number
- DBSALT001044
- Structure
Structure for Quinine hydrochloride (DBSALT001044)
- Synonyms
- Quinine HCl / Quinine hydrochloride dihydrate
- UNII
- 711S8Y0T33
- CAS Number
- 6119-47-7
- Weight
- Average: 396.91
Monoisotopic: 396.1815851 - Chemical Formula
- C20H29ClN2O4
- InChI Key
- MPQKYZPYCSTMEI-FLZPLBAKSA-N
- 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
- IUPAC Name
- (R)-[(1S,2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methanol dihydrate hydrochloride
- SMILES
- O.O.Cl.[H][C@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@H](O)C1=CC=NC2=CC=C(OC)C=C12
- External Links
- ChemSpider
- 17339312
- ChEMBL
- CHEMBL3706390
- Predicted Properties
Property Value Source Water Solubility 0.334 mg/mL ALOGPS logP 2.82 ALOGPS logP 2.51 Chemaxon logS -3 ALOGPS pKa (Strongest Acidic) 13.89 Chemaxon pKa (Strongest Basic) 9.05 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 45.59 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 94.69 m3·mol-1 Chemaxon Polarizability 35.97 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon