Cletoquine

Category	Influenza Virus
CAS	4298-15-1
Description	Cletoquine is a metabolite of Hydroxychloroquine, which is an antimalarial.

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Synonyms	2-[[4-[(7-Chloro-4-quinolyl)amino]pentyl]amino]ethanol; (±)-Desethylhydroxychloroquine; Desethyl Hydroxy Chloroquine
IUPAC Name	2-[4-[(7-chloroquinolin-4-yl)amino]pentylamino]ethanol
Molecular Weight	307.83
Molecular Formula	C16H22ClN3O
Canonical SMILES	CC(CCCNCCO)NC1=C2C=CC(=CC2=NC=C1)Cl
InChI	InChI=1S/C16H22ClN3O/c1-12(3-2-7-18-9-10-21)20-15-6-8-19-16-11-13(17)4-5-14(15)16/h4-6,8,11-12,18,21H,2-3,7,9-10H2,1H3,(H,19,20)
InChIKey	XFICNUNWUREFDP-UHFFFAOYSA-N
Boiling Point	514.7°C at 760 mmHg
Melting Point	115-122°C
Flash Point	265.1°C
Purity	>95%
Density	1.212 g/cm3
Solubility	In vitro: 10 mM in DMSO
Appearance	Off-white Solid
Storage	Store at -20°C
Complexity	293
Exact Mass	307.1451400
Index Of Refraction	1.623
In Vitro	Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and Metabolic profiles of drugs.
In Vivo	BALB/c mice were given intravenous hydroxychloroquine (5mg/kg) for blood and tissue examination to determine the content of critoquine (deethylhydroxychloroquine). The tissue blood concentration ratio (Kp) is greater than or equal to 1, indicating the accumulation of clitoquine in the tissue. The Kp ratios of klitoquine in different tissues were liver (114.3>), kidney (24.4> spleen (19.3>), lung (16.5), > heart (5.5).
PSA	57.18000
Target	Chikungunya virus (CHIKV)
XLogP3-AA	2.7