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Hydroxy Metronidazole-[d4]

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General Information
Catalog: BLP-005924
CAS: 1215071-08-1
Molecular Formula: C6H5D4N3O4
Molecular Weight: 191.18

Chemical Structure

Description	Hydroxy Metronidazole-[d4] is a labelled analogue of Metronidazole. Metronidazole is a genotoxic, carcinogenic and mutagenic drug, belonging to the class of nitroimidazoles, used as a broad spectrum veterinary drug for the treatment and prevention of certain bacterial and protozoal diseases in farm animals.
Synonyms	2-(Hydroxymethyl)-5-nitro-1H-imidazole-1-ethanol; Metronidazole-OH-d4; 1-(2-Hydroxyethyl)-2-(hydroxymethyl)-5-nitroimidazole-d4; Hydroxymetronidazole-d4; Hydroxy Metronidazole D4
IUPAC Name	1,1,2,2-tetradeuterio-2-[2-(hydroxymethyl)-5-nitroimidazol-1-yl]ethanol
Related CAS	4812-40-2 (unlabelled)
Isomeric SMILES	[2H]C([2H])(C([2H])([2H])O)N1C(=CN=C1CO)[N+](=O)[O-]
Canonical SMILES	C1=C(N(C(=N1)CO)CCO)[N+](=O)[O-]
InChI	InChI=1S/C6H9N3O4/c10-2-1-8-5(4-11)7-3-6(8)9(12)13/h3,10-11H,1-2,4H2/i1D2,2D2
InChI Key	AEHPOYAOLCAMIU-LNLMKGTHSA-N
Melting Point	118-120°C
Purity	95% by CP; 95% atom D
Solubility	Slightly soluble in Methanol, DMSO
Appearance	Off-white Solid
Storage	Store at -20°C