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Isometronidazole-[d4] Hydrochloride

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Isometronidazole-[d4] Hydrochloride

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General Information
Catalog: BLP-005831
Molecular Formula: C6H6D4ClN3O3
Molecular Weight: 211.64

Chemical Structure

Description	Isometronidazole-[d4] Hydrochloride is the labelled derivative 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 Hydrochloride; 1-(2-Hydroxyethyl)-2-methyl-4-nitroimidazole-D4 Hydrochloride; Izoklion-D4 Hydrochloride; Mizonidazole-D4 Hydrochloride
IUPAC Name	1,1,2,2-tetradeuterio-2-(2-methyl-4-nitroimidazol-1-yl)ethanol;hydrochloride
Related CAS	705-19-1 (unlabelled free base)
Canonical SMILES	CC1=NC(=CN1CCO)[N+](=O)[O-].Cl
InChI	InChI=1S/C6H9N3O3.ClH/c1-5-7-6(9(11)12)4-8(5)2-3-10;/h4,10H,2-3H2,1H3;1H/i2D2,3D2;
InChI Key	JECPEFKCSPMQKO-DAHDXRBSSA-N
Purity	>95% by HPLC; 99% atom D
Solubility	Slightly soluble in DMSO, Methanol
Appearance	Off-white Solid
Storage	Store at -20°C