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CS-W001157 4
Total: USD 88.00

Isometronidazole

  • CAS No. 705-19-1

  • Cat. No. CS-0317294
  • Molecule weight171.15
  • Purity≥97%
  • MDL No.MFCD00196022

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

Isometronidazole|CS-0317294

Structure of 705-19-1

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General Information

  • CAS No. 705-19-1
  • Cat. No. CS-0317294
  • Purity ≥97%
  • MDL No. MFCD00196022
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₉N₃O₃
  • Molecular Weight 171.15
  • Synonym(s) None
  • SMILES CC1=NC(=CN1CCO)[N+](=O)[O-]

Synthesis

  • Route1
    • 2-Methyl-5-nitroimidazole Tinidazole Impurity|CS-0229738
      696-23-1
    • null|null
      540-51-2
    • ~22%
    • Isometronidazole|CS-0317294
      705-19-1

    References

    • Kim, Pilho; Zhang, Liang; Manjunatha, Ujjini H.; Singh, Ramandeep; Patel, Sejal; Jiricek, Jan; Keller, Thomas H.; Boshoff, Helena I.; Barry III, Clifton E.; Dowd, Cynthia S. Journal of Medicinal Chemistry, 2009 , vol. 52, # 5 p. 1317 - 1328
  • Route2
    • 2-Methyl-5-nitroimidazole Tinidazole Impurity|CS-0229738
      696-23-1
    • null|null
      107-07-3
    • ~93%
    • Isometronidazole|CS-0317294
      705-19-1

    References

    • Liu; Chen; Cao; Li Synthetic Communications, 1993 , vol. 23, # 18 p. 2611 - 2615

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   81.19
  • LogP   0.09202
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   3

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