CID 5702111

Base Information

• Chemical Name: CID 5702111
• CAS No.: 6119-70-6
• Molecular Formula: 2(C20H24N2O2)^.H2SO4^.2(H2O)
• Molecular Weight: 782.956
• Hs Code.: 29392000
• European Community (EC) Number: 212-359-2,639-128-2
• NSC Number: 757298
• NCI Thesaurus Code: C29399
• RXCUI: 9075
• Mol file: 6119-70-6.mol

Synonyms:Biquinate;Bisulfate, Quinine;Hydrochloride, Quinine;Legatrim;Myoquin;Quinamm;Quinbisan;Quinbisul;Quindan;Quinimax;Quinine;Quinine Bisulfate;Quinine Hydrochloride;Quinine Lafran;Quinine Sulfate;Quinine Sulphate;Quinine-Odan;Quinoctal;Quinson;Quinsul;Strema;Sulfate, Quinine;Sulphate, Quinine;Surquina

Chemical Property of CID 5702111

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 1.19E-10mmHg at 25°C
• Melting Point: 233-225 °C
• Boiling Point: 992.5 °C at 760 mmHg
• Flash Point: 554 °C
• PSA: 192.62000
• LogP: 6.52160
• Storage Temp.: Refrigerator
• Sensitive.: Light Sensitive
• Solubility.: Soluble in a mixture of chloroform and absolute alcohol (2:1).
• Water Solubility.: 0.12 g/100 mL (20 ºC)
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 422.15115773
• Heavy Atom Count: 29
• Complexity: 538

Purity/Quality:

99% ^*data from raw suppliers

Quininesulfatedihydrate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-42/43-22-36/38
• Safety Statements: 26-45-37-24-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Uses -> Food Additives
• Canonical SMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.OS(=O)(=O)O
• Isomeric SMILES: COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.OS(=O)(=O)O
• Recent ClinicalTrials: Effectiveness and Safety of Quinine Sulfate as add-on Therapy for COVID-19 in Hospitalized Adults in Indonesia ( DEAL-COVID19 )
• Recent EU Clinical Trials: Multizentrischer, randomisierter, doppelblinder, Placebo-kontrollierter Parallelgruppenvergleich zum Nachweis der Wirksamkeit und Unbedenklichkeit von Chinin bei Patienten mit Fibromyalgie
• Uses: Quinine sulfate is an antimalarial agent also used as antipyreticum and in liquids (tonic etc.). Quinine hemisulfate monohydrate plays a major role in potassium channel blockers. It is also used as an antimalarial, anticholinergic, antihypertensive and a hypoglycemic agent. It inhibits mitochondrial ATP-regulated potassium channel. It is also used to study the metabolism of biocrystalized heme, hemozoin, in malarial parasites and to study the toxicity of heme (FP)-complexes.