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N-Desethyl Amodiaquine-[d5] Dihydrochloride

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General Information
Catalog: BLP-013058
CAS: 1216894-33-5
Molecular Formula: C18H15D5Cl3N3O
Molecular Weight: 405.76

Chemical Structure

Description	N-Desethyl Amodiaquine-[d5] Dihydrochloride is the labelled analogue of N-Desethyl Amodiaquine Dihydrochloride, which is a metabolite of Amodiaquine, an antimalarial.
Synonyms	N-Desethyl Amodiaquine-D5 Dihydrochloride; 4-[(7-Chloro-4-quinolinyl)amino]-2-[(ethyl-d5-amino)methyl]phenol Dihydrochloride; Monodesethylamodiaquine-d5 Dihydrochloride; Desethylamodiaquine-d5 Dihydrochloride
IUPAC Name	4-[(7-chloroquinolin-4-yl)amino]-2-[(1,1,2,2,2-pentadeuterioethylamino)methyl]phenol;dihydrochloride
Related CAS	79049-30-2 (unlabelled) 79352-78-6 (unlabelled free base)
Isomeric SMILES	[2H]C([2H])([2H])C([2H])([2H])NCC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O.Cl.Cl
Canonical SMILES	CCNCC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O.Cl.Cl
InChI	InChI=1S/C18H18ClN3O.2ClH/c1-2-20-11-12-9-14(4-6-18(12)23)22-16-7-8-21-17-10-13(19)3-5-15(16)17;;/h3-10,20,23H,2,11H2,1H3,(H,21,22);2*1H/i1D3,2D2;;
InChI Key	BCYBRFGUODDEGH-ZWOCKVCESA-N
Purity	≥95% by HPLC; ≥99% atom D
Solubility	Soluble in Methanol (Slightly), Water (Slightly, Heated)
Appearance	White to Yellow Solid
Storage	Store at -20°C under inert atmosphere