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Fenbendazole sulfone-[d3]

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General Information
Catalog: BLP-012953
CAS: 1228182-49-7
Molecular Formula: C15H10D3N3O4S
Molecular Weight: 334.36

Chemical Structure

Description	Fenbendazole sulfone-[d3] is the labelled analogue of Fenbendazole sulfone, which is a metabolite of Fenbendazole.
Synonyms	(5-Benzenesulfonyl-1H-benzoimidazol-2-yl)-carbamic acid methyl-D3 ester; Fenbendazole sulfone-D3
IUPAC Name	trideuteriomethyl N-[6-(benzenesulfonyl)-1H-benzimidazol-2-yl]carbamate
Related CAS	54029-20-8 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])OC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)C3=CC=CC=C3
Canonical SMILES	COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)C3=CC=CC=C3
InChI	InChI=1S/C15H13N3O4S/c1-22-15(19)18-14-16-12-8-7-11(9-13(12)17-14)23(20,21)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)/i1D3
InChI Key	UAFDGCOOJPIAHN-FIBGUPNXSA-N
Purity	95% by HPLC; 98% atom D
Solubility	Soluble in DMSO (Slightly), Methanol (Very Slightly, Heated, Sonicated)
Appearance	Off-white Solid
Storage	Store at -20°C