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Albendazole sulfone-[d3]

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General Information
Catalog: BLP-012799
CAS: 1448345-60-5
Molecular Formula: C12H12D3N3O4S
Molecular Weight: 300.35

Chemical Structure

Description	Albendazole sulfone-[d3] is the labelled analogue of Albendazole sulfone, which is a metabolite of Albendazole, an anthelmintic.
Synonyms	[5-(Propane-1-sulfonyl)-1H-benzoimidazol-2-yl]-carbamic acid methyl-D3 ester; Albendazole sulfone-D3; N-[6-(Propylsulfonyl)-1H-benzimidazol-2-yl]carbamic Acid Methyl Ester-d3; Methyl [5-(propylsulfonyl)-1H-benzimidazol-2-yl]carbamate-d3; Albendazole Impurity C (EP)-d3; Albendazole sulfone-(methyl-d3)
IUPAC Name	trideuteriomethyl N-(6-propylsulfonyl-1H-benzimidazol-2-yl)carbamate
Related CAS	75184-71-3 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])OC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)CCC
Canonical SMILES	CCCS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)NC(=O)OC
InChI	InChI=1S/C12H15N3O4S/c1-3-6-20(17,18)8-4-5-9-10(7-8)14-11(13-9)15-12(16)19-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)/i2D3
InChI Key	CLSJYOLYMZNKJB-BMSJAHLVSA-N
Purity	95% by HPLC; 98% atom D
Solubility	Soluble in DMSO (Slightly, Heated), Methanol (Slightly, Heated)
Appearance	Light Brown Solid
Storage	Store at -20°C