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CS-W001157 4
Total: USD 88.00

5-Nitroimidazole Metronidazole Impurity

  • CAS No. 3034-38-6

  • Cat. No. CS-0229038
  • Purity≥98%
  • MDL No.MFCD00005196

*For research and further manufacturing use only, not for direct human use.

5-Nitroimidazole Metronidazole  Impurity|CS-0229038

Structure of 3034-38-6

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General Information

  • CAS No. 3034-38-6
  • Cat. No. CS-0229038
  • Purity ≥98%
  • MDL No. MFCD00005196
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃H₃N₃O₂
  • Molecular Weight 113.08
  • Synonym(s) 4-nitroimidazole (Metronidazole Impurity)
  • SMILES O=[N+](C1=CN=CN1)[O-]

Synthesis

  • Route1
    • Imidazole Ondansetron Impurity|CS-0229601
      288-32-4
    • ~81%
    • 5-Nitroimidazole Metronidazole  Impurity|CS-0229038
      3034-38-6

    References

    • Dynamit Nobel GmbH Explosivstoff - und Systemtechnik; Asahi Kasei Chemicals Corporation; OTSUKA PHARMACEUTICAL CO., LTD.; WUELLNER, Guido; HERKENRATH, Franz-Willi; JUELICH, Alexander; YAMADA, Yoshinori; KAWABE, Shuji Patent: WO2010/21409 A1, 2010 ; Location in patent: Page/Page column 75-76 ;
  • Route2
    • Imidazole Ondansetron Impurity|CS-0229601
      288-32-4
    • ~72%
    • 5-Nitroimidazole Metronidazole  Impurity|CS-0229038
      3034-38-6
    • 5-Nitroimidazole Metronidazole  Impurity|CS-0229038
      3034-38-6

    References

    • Samant, Bhupesh S.; Sukhthankar, Mugdha G. Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 3 p. 1015 - 1018
  • Route3

    References

    • Journal of Chemical Research - Part S, , # 5 p. 244 - 245

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   71.82
  • LogP   0.3179
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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