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Desethyl Amiodarone-[d4] Hydrochloride

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General Information
Catalog: BLP-013028
CAS: 1189960-80-2
Molecular Formula: C23H22D4ClI2NO3
Molecular Weight: 657.74

Chemical Structure

Description	Desethyl Amiodarone-[d4] Hydrochloride is the labelled analogue of Desethyl Amiodarone Hydrochloride, which is metabolite of Amiodarone. Amiodarone is a medication used for the treatment of arythmia.
Synonyms	Desethyl Amiodarone-d4 Hydrochloride; 2-Butyl-3-benzofuranyl-4-[2-(ethylamino)ethoxy-d4]-3,5-diiodophenyl Ketone Hydrochloride
IUPAC Name	(2-butyl-1-benzofuran-3-yl)-[3,5-diiodo-4-[1,1,2,2-tetradeuterio-2-(ethylamino)ethoxy]phenyl]methanone;hydrochloride
Related CAS	96027-74-6 (unlabelled) 83409-32-9 (unlabelled free base)
Isomeric SMILES	[2H]C([2H])(C([2H])([2H])OC1=C(C=C(C=C1I)C(=O)C2=C(OC3=CC=CC=C32)CCCC)I)NCC.Cl
Canonical SMILES	CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCNCC)I.Cl
InChI	InChI=1S/C23H25I2NO3.ClH/c1-3-5-9-20-21(16-8-6-7-10-19(16)29-20)22(27)15-13-17(24)23(18(25)14-15)28-12-11-26-4-2;/h6-8,10,13-14,26H,3-5,9,11-12H2,1-2H3;1H/i11D2,12D2;
InChI Key	OCQPMJVGWGJLLG-ZYMFQSNRSA-N
Melting Point	174-176°C
Purity	≥98% by HPLC; ≥99% atom D
Solubility	Soluble in Chloroform (Slightly), Methanol (Slightly)
Appearance	White to Light Brown Solid
Storage	Store at -20°C