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Chemical structure of Desethyl Amiodarone-d4 hydrochloride

GC70636

Desethyl Amiodarone-d4 hydrochloride

Also known as (2-butyl-1-benzofuran-3-yl)-[3,5-diiodo-4-[1,1,2,2-tetradeuterio-2-(ethylamino)ethoxy]phenyl]methanone;hydrochloride

Desethyl Amiodarone-d4 (hydrochloride) is the deuterium labeled Desethylamiodarone hydrochloride

ChemicalCAS1189960-80-2MW657.74FormulaC23H22D4ClI2NO3
CAS number
1189960-80-2
Molecular weight
657.74
Formula
C23H22D4ClI2NO3
InChIKey
OCQPMJVGWGJLLG-ZYMFQSNRSA-N
Catalogue number
GC70636
Brand
GLPBIO
Computed properties PubChem CID 45038854 · TPSA 51.5 Ų · H-bond donors 2 · H-bond acceptors 4
TPSA
51.5 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
10
Heavy atoms
30

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

Computed descriptors from PubChem (CID 45038854), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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