Chloroquine hydrochlorideProduct ingredient forChloroquine
- Name
- Chloroquine hydrochloride
- Drug Entry
-
Chloroquine
Chloroquine is an aminoquinolone derivative first developed in the 1940s for the treatment of malaria.4It was the drug of choice to treat malaria until the development of newer antimalarials such aspyrimethamine,artemisinin, andmefloquine.17Chloroquine and its derivativehydroxychloroquinehave since been repurposed for the treatment of a number of other conditions including HIV, systemic lupus erythematosus, and rheumatoid arthritis.18
The FDA emergency use authorization forhydroxychloroquineand chloroquine in the treatment of COVID-19 was revoked on 15 June 2020.21
Chloroquine was granted FDA Approval on 31 October 1949.20
- Accession Number
- DBSALT001317
- Structure
-
Structure for Chloroquine hydrochloride (DBSALT001317)
- Synonyms
- Chloroquine HCl
- UNII
- NT0J0815S5
- CAS Number
- 3545-67-3
- Weight
-
Average: 392.79
Monoisotopic: 391.134881 - Chemical Formula
- C18H28Cl3N3
- InChI Key
- PCFGECQRSMVKCC-UHFFFAOYSA-N
- InChI
-
InChI=1S/C18H26ClN3.2ClH/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);2*1H
- IUPAC Name
-
7-chloro-N-[5-(diethylamino)pentan-2-yl]quinolin-4-amine dihydrochloride
- SMILES
-
Cl.Cl.CCN(CC)CCCC(C)NC1=CC=NC2=CC(Cl)=CC=C12
- External Links
-
- ChemSpider
- 75639
- ChEMBL
- CHEMBL4297165
- Wikipedia
- Chloroquine
- Predicted Properties
-
Property Value Source Water Solubility 0.0175 mg/mL ALOGPS logP 5.28 ALOGPS logP 3.93 Chemaxon logS -4.3 ALOGPS pKa (Strongest Basic) 10.32 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 28.16 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 96.42 m3·mol-1 Chemaxon Polarizability 37.29 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like规则 No Chemaxon
