Cletoquine-[d4]

Category	Influenza Virus
CAS	1216461-56-1
Description	Cletoquine-[d4] is the labelled impurity of Hydroxychloroquine. Hydroxychloroquine is a medication used to prevent and treat malaria in areas where malaria remains sensitive to chloroquine.

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Synonyms	2-((4-((7-Chloroquinolin-4-yl)amino)pentyl-1,1,2,2-d4)amino)ethan-1-ol; Cletoquine-d4; 2-[[4-[(7-Chloro-4-quinolinyl)amino]pentyl-1,1,2,2-d4]amino]ethanol; Desethyl Hydroxy Chloroquine-d4; Cletoquine D4; Desethyl Hydroxychloroquine-d4; Cletoquine-d4-1; 2-[[4-[(7-Chloro-4-quinolyl)amino]pentyl]amino]ethanol-d4; (+/-)-Desethylhydroxychloroquine-d4; Desethylhydroxychloroquine-d4
IUPAC Name	2-[[4-[(7-chloroquinolin-4-yl)amino]-1,1,2,2-tetradeuteriopentyl]amino]ethanol
Molecular Weight	311.84
Molecular Formula	C16H18D4ClN3O
Canonical SMILES	[2H]C([2H])(CC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)C([2H])([2H])NCCO
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)/i2D2,7D2
InChIKey	XFICNUNWUREFDP-BRVWLQDISA-N
Purity	>95%
Solubility	In vitro: 10 mM in DMSO
Appearance	Solid powder
Storage	Store at 2-8 °C
Complexity	293
Exact Mass	311.1702470
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.
PSA	131.78000
Target	Influenza Virus; Parasite
XLogP3-AA	2.7