CID 5702111

Base Information

• Chemical Name: CID 5702111
• CAS No.: 804-63-7
• Molecular Formula: 2C₂₀H₂₄N₂O₂*H₂O₄S
• Molecular Weight: 746.925
• Hs Code.: 29339900
• European Community (EC) Number: 212-359-2,639-128-2
• NSC Number: 757298
• NCI Thesaurus Code: C29399
• RXCUI: 9075
• Mol file: 804-63-7.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:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 235.2°C
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 911.6 °C at 760 mmHg
• Flash Point: 505.1 °C
• PSA: 128.57000
• Density: 1.0807 (rough estimate)
• LogP: 3.53910
• 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

Quinine sulfate 95+% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

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, an extremely bitter substance, has been used by millions of malaria sufferers. In recent times, it has been employed successfully to treat chloroquine-resistant strains of P. falciparum but it frequently fails to provide a complete cure of the infection.