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5-Hydroxymebendazole-[d3]

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General Information
Catalog: BLP-012954
CAS: 1173020-86-4
Molecular Formula: C16H12D3N3O3
Molecular Weight: 300.33

Chemical Structure

Description	5-Hydroxymebendazole-[d3] is the labelled analogue of 5-Hydroxymebendazole, which is the reduced metabolite of Mebendazole.
Synonyms	[5-(Hydroxy-phenyl-methyl)-1H-benzimidazol-2-yl]-carbamic acid methyl-D3 ester; 5-Hydroxymebendazole-D3; rac Dihydro Mebendazole-d3
IUPAC Name	trideuteriomethyl N-[6-[hydroxy(phenyl)methyl]-1H-benzimidazol-2-yl]carbamate
Related CAS	60254-95-7 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])OC(=O)NC1=NC2=C(N1)C=C(C=C2)C(C3=CC=CC=C3)O
Canonical SMILES	COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(C3=CC=CC=C3)O
InChI	InChI=1S/C16H15N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9,14,20H,1H3,(H2,17,18,19,21)/i1D3
InChI Key	IIQKUGXEGMZCLE-FIBGUPNXSA-N
Purity	95% by HPLC; 98% atom D
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly, Heated)
Appearance	White to Off-white Solid
Storage	Store at -20°C