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2-n-Butyl-4-((2-bromoethoxy-[d4])-3,5-diiodobenzoyl)benzofuran

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General Information
Catalog: BLP-007792
CAS: 1216376-62-3
Molecular Formula: C21H15D4BrI2O3
Molecular Weight: 657.11

Chemical Structure

Description	2-n-Butyl-4-[(2-Bromoethoxy)-3,5-diiodobenzoyl]benzofuran is a potential amiodarone metabolite that has significant structural similarity to thyroid hormone.
Synonyms	[4-(2-Bromoethoxy-d4)-3,5-diiodophenyl](2-butyl-3-benzofuranyl)methanone
IUPAC Name	[4-(2-bromo-1,1,2,2-tetradeuterioethoxy)-3,5-diiodophenyl]-(2-butyl-1-benzofuran-3-yl)methanone
Related CAS	96027-84-8 (unlabelled)
Canonical SMILES	CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCBr)I
InChI	InChI=1S/C21H19BrI2O3/c1-2-3-7-18-19(14-6-4-5-8-17(14)27-18)20(25)13-11-15(23)21(16(24)12-13)26-10-9-22/h4-6,8,11-12H,2-3,7,9-10H2,1H3/i9D2,10D2
InChI Key	BZONOCYTJWTZBO-YQUBHJMPSA-N
Melting Point	81-86°C
Purity	>98%
Solubility	Soluble in Chloroform
Appearance	Off-white to Light Yellow Solid
Storage	Store at -20°C