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Isometronidazole-[d4]

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General Information
Catalog: BLP-005832
Molecular Formula: C6H5D4N3O3
Molecular Weight: 175.18

Chemical Structure

Description	Isometronidazole-[d4] is a labelled analogue of Isometronidazole. Isometronidazole is an impurity of Metronidazole, a chemotherapeutic agent that is used as a first line defense against Clostridium difficile. Isometronidazole is also a hypoxic cell sensitizer in humans and mice.
Synonyms	2-Methyl-4-nitro-1H-imidazole-1-ethanol-D4; 1-(2-Hydroxyethyl)-2-methyl-4-nitroimidazole-D4; Izoklion-D4; Mizonidazole-D4; Isometronidazole-d4 (hydroxyethyl-d4)
IUPAC Name	1,1,2,2-tetradeuterio-2-(2-methyl-4-nitroimidazol-1-yl)ethanol
Related CAS	705-19-1 (unlabelled)
Canonical SMILES	CC1=NC(=CN1CCO)[N+](=O)[O-]
InChI	InChI=1S/C6H9N3O3/c1-5-7-6(9(11)12)4-8(5)2-3-10/h4,10H,2-3H2,1H3/i2D2,3D2
InChI Key	RSXWJXPKLRYMHW-RRVWJQJTSA-N
Melting Point	125-128°C
Purity	98% by CP; 98% atom D
Solubility	Slightly soluble in DMSO, Methanol
Appearance	White Solid