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CS-W001157 4
Total: USD 88.00

Isoniazid Topiroxostat Impurity

  • CAS No. 54-85-3

  • Cat. No. CS-0229354
  • Purity≥98%
  • MDL No.MFCD00006426

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

Isoniazid Topiroxostat  Impurity|CS-0229354

Structure of 54-85-3

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General Information

  • CAS No. 54-85-3
  • Cat. No. CS-0229354
  • Purity ≥98%
  • MDL No. MFCD00006426
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇N₃O
  • Molecular Weight 137.14
  • Synonym(s) None
  • SMILES O=C(C1=CC=NC=C1)NN

Synthesis

  • Route1
    • Isonicotinamide Isoniazid  Impurity|CS-0229453
      1453-82-3
    • ~91%
    • Isonicotinic acid Nicotinic Acid  Impurity|CS-0229405
      55-22-1
    • Isoniazid Topiroxostat  Impurity|CS-0229354
      54-85-3

    References

    • Agarwal, Shilpi; Gupta, Meenu; Choudhury, Bijan Journal of Molecular Catalysis B: Enzymatic, 2013 , vol. 97, p. 67 - 73
  • Route2
    • Isonicotinamide Isoniazid  Impurity|CS-0229453
      1453-82-3
    • ~97%
    • Isoniazid Topiroxostat  Impurity|CS-0229354
      54-85-3

    References

    • COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH Patent: WO2004/56778 A1, 2004 ; Location in patent: Page 3 ;
  • Route3
    • Methyl isonicotinate Topiroxostat  Impurity|CS-0229355
      2459-09-8
    • ~73%
    • Isoniazid Topiroxostat  Impurity|CS-0229354
      54-85-3

    References

    • Holt, Jarle; Andreassen, Trygve; Bakke, Jan M.; Fiksdahl, Anne Journal of Heterocyclic Chemistry, 2005 , vol. 42, # 2 p. 259 - 264

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS09
Signal Word : Warning
UN#: 3077
Class : 9
Packing Group : Ⅲ
Hazard Statements : H302
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   68.01
  • LogP   -0.3149
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

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