Chloroquine , 97% , 54-05-7

CAS NO.：54-05-7

Empirical Formula: C18H26ClN3

Molecular Weight: 319.87

MDL number: MFCD00024009

EINECS: 200-191-2

PRODUCT Properties

• Melting point: 87°
• Boiling point: 475.41°C (rough estimate)
• Density: 1.0500 (rough estimate)
• refractive index: 1.6010 (estimate)
• storage temp.: 2-8°C(protect from light)
• solubility: Chloroform (Slightly), Methanol (Slightly)
• form: Solid
• pka: pKa 8.4(H2O t = 20) (Uncertain)
• color: White to Light Brown
• Odor: Odorless
• Stability: Stable, but light sensitive. Incompatible with strong oxidizing agents.
• InChI: InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)
• InChIKey: WHTVZRBIWZFKQO-UHFFFAOYSA-N
• SMILES: C(N(CC)CC)CCC(NC1C2C(N=CC=1)=CC(Cl)=CC=2)C
• IARC: 3 (Vol. 13, Sup 7) 1987
• EPA Substance Registry System: 1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl- (54-05-7)

Description and Uses

Chloroquine is the most effective of the hundreds of 4-aminoquinolines synthesized and tested during World War II as potential antimalarials. Structure–activity relationships demonstrated that the chloro at the 8-position increased activity, whereas alkylation at C-3 and C-8 diminished activity. The replacement of one of its N-ethyl groups with an hydroxyethyl produced hydroxychloroquine, a compound with reduced toxicity that is rarely used today except in cases of rheumatoid arthritis.

Chloroquine used in the treatment of malaria and MDR-strains. It is a COVID19-related research product.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302
• Precautionary statements: P264-P270-P301+P312-P330-P501
• Hazardous Substances Data: 54-05-7(Hazardous Substances Data)
• Toxicity: LD50 oral in rat: 330mg/kg