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CS-W001157 4
Total: USD 88.00

4-(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethoxy)-4-oxobutanoic acid

  • CAS No. 13182-87-1

  • Cat. No. CS-0337868
  • Purity95+%
  • MDL No.None

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

4-(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethoxy)-4-oxobutanoic acid|CS-0337868

Structure of 13182-87-1

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General Information

  • CAS No. 13182-87-1
  • Cat. No. CS-0337868
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃N₃O₆
  • Molecular Weight 271.23
  • Synonym(s) Metronidazole monosuccinate
  • SMILES CC1=NC=C(N1CCOC(=O)CCC(=O)O)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Vermeersch; Vandoorne; Permentier; Schacht Bulletin des Societes Chimiques Belges, 1985 , vol. 94, # 8 p. 591 - 596
  • Route2

    References

    • European Journal of Medicinal Chemistry, , vol. 33, # 9 p. 675 - 683
  • Route3

    References

    • Scientia Pharmaceutica, , vol. 66, # 4 p. 309 - 324

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   124.56
  • LogP   0.50772
  • H_Acceptors   7
  • H_Donors   1
  • Rotatable_Bonds   7

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