Hydroxy Metronidazole-d4

Base Information

• Chemical Name: Hydroxy Metronidazole-d4
• CAS No.: 1215071-08-1
• Molecular Formula: C6H9N3O4
• Molecular Weight: 187.15336
• DSSTox Substance ID: DTXSID70694036
• Wikidata: Q82623050
• Mol file: 1215071-08-1.mol

Synonyms:Hydroxy Metronidazole-d4;1215071-08-1;Hydroxymetronidazole-d4;1,1,2,2-tetradeuterio-2-[2-(hydroxymethyl)-5-nitroimidazol-1-yl]ethanol;2-[2-(hydroxymethyl)-5-nitro-1H-imidazol-1-yl](?H?)ethan-1-ol;Hydroxy Metronidazole D4;DTXSID70694036;CS-T-56240;HY-136440S;CS-0203566;J-004510;2-[2-(Hydroxymethyl)-5-nitro-1H-imidazol-1-yl](~2~H_4_)ethan-1-ol

Chemical Property of Hydroxy Metronidazole-d4

Chemical Property:

• Melting Point: 118-120°C
• PSA: 104.10000
• LogP: -0.20090
• Storage Temp.: -20?C Freezer, Under Inert Atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 191.08441276
• Heavy Atom Count: 13
• Complexity: 183

Purity/Quality:

NLT 98% ^*data from raw suppliers

Hydroxy Metronidazole-d4 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(N(C(=N1)CO)CCO)[N+](=O)[O-]
• Isomeric SMILES: [2H]C([2H])(C([2H])([2H])O)N1C(=CN=C1CO)[N+](=O)[O-]
• Uses: A labelled metabolite of Metronidazole (M338880).

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