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Cletoquine-[d4] Oxalate

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General Information
Catalog: BLP-002291
CAS: 1216461-57-2
Molecular Formula: C18H20D4ClN3O5
Molecular Weight: 401.88

Chemical Structure

Description	Cletoquine-[d4] Oxalate, is the labelled analogue of Cletoquine, which is a metabolite of Hydroxychloroquine.
Synonyms	Cletoquine-d4 Oxalate; Oxalic acid-2-({4-[(7-chloroquinolin-4-yl)amino](1,1,2,2-2H4)pentyl}amino)ethan-1-ol
IUPAC Name	2-[[4-[(7-chloroquinolin-4-yl)amino]-1,1,2,2-tetradeuteriopentyl]amino]ethanol;oxalic acid
Related CAS	14142-64-4 (unlabelled)
Isomeric SMILES	[2H]C([2H])(CC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)C([2H])([2H])NCCO.C(=O)(C(=O)O)O
Canonical SMILES	CC(CCCNCCO)NC1=C2C=CC(=CC2=NC=C1)Cl.C(=O)(C(=O)O)O
InChI	InChI=1S/C16H22ClN3O.C2H2O4/c1-12(3-2-7-18-9-10-21)20-15-6-8-19-16-11-13(17)4-5-14(15)16;3-1(4)2(5)6/h4-6,8,11-12,18,21H,2-3,7,9-10H2,1H3,(H,19,20);(H,3,4)(H,5,6)/i2D2,7D2;
InChI Key	DTVGVTDECKJJJK-XNXUTHBPSA-N
Melting Point	>106 °C (dec.)
Purity	95% (CP); 98% atom D
Solubility	Soluble in Methanol
Appearance	White to Light Yellow Solid
Storage	Store at -20°C