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Hydroxychloroquine-[d4] Sulfate

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General Information
Catalog: BLP-006110
CAS: 1216432-56-2
Molecular Formula: C18H24D4ClN3O5S
Molecular Weight: 437.97

Chemical Structure

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.
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
Related CAS	747-36-4 (unlabelled) 118-42-3 (unlabelled free base) 1216432-55-1 (free base)
Isomeric SMILES	[2H]C([2H])(CC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)C([2H])([2H])N(CC)CCO.OS(=O)(=O)O
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;
InChI Key	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