Hydroxychloroquine-[d4] Sulfate

Category	SARS-CoV
CAS	1216432-56-2
Description	Hydroxychloroquine-[d4] Sulfate is an isotope labelled compound of Hydroxychloroquine Sulfate, an antimalarial, antirheumatic and lupus erythematosus suppressant. It is a COVID-19-related research product.

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Synonyms	2-[[4-[(7-Chloro-4-quinolinyl)amino]pentyl]ethylamino-d4]ethanol Sulfate; 7-Chloro-4-[4-[ethyl-d4(2-hydroxyethyl)amino]-1-methylbutylamino]-quinoline Sulfate; Ercoquin-d4; Plaquenil-d4 Sulfate; Quensyl-d4
IUPAC Name	2-[[4-[(7-chloroquinolin-4-yl)amino]-1,1,2,2-tetradeuteriopentyl]-ethylamino]ethanol;sulfuric acid
Molecular Weight	437.97
Molecular Formula	C18H24D4ClN3O5S
Canonical SMILES	CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO.OS(=O)(=O)O
InChI	InChI=1S/C18H26ClN3O.H2O4S/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18;1-5(2,3)4/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21);(H2,1,2,3,4)/i4D2,10D2;
InChIKey	JCBIVZZPXRZKTI-LINVOLBQSA-N
Melting Point	>140°C (dec.)
Purity	95% by CP; 95% atom D
Solubility	Slightly soluble in Water, Methanol
Appearance	White to Pale Yellow Solid
Storage	Store at-20°C
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	131.37000
Target	Parasite; Toll-like Receptor (TLR); SARS-CoV; Autophagy