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3-Methyl-8-nitro-2,3,6,7-tetrahydro-1h-purine-2,6-dione

  • CAS No. 93703-23-2

  • Cat. No. CS-0239410
  • Purity≥95%
  • MDL No.None

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

3-Methyl-8-nitro-2,3,6,7-tetrahydro-1h-purine-2,6-dione|CS-0239410

Structure of 93703-23-2

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General Information

  • CAS No. 93703-23-2
  • Cat. No. CS-0239410
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅N₅O₄
  • Molecular Weight 211.14
  • Synonym(s) 1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-8-nitro-
  • SMILES CN1C2=C(N=C([N+]([O-])=O)N2)C(NC1=O)=O

Synthesis

  • Route1
    • 3-Methylxanthine Pentoxifylline Impurity|CS-0229494
      1076-22-8
    • ~85%
    • 3-Methyl-8-nitro-2,3,6,7-tetrahydro-1h-purine-2,6-dione|CS-0239410
      93703-23-2

    References

    • Priimenko, B.A.; Romanenko, N.I.; Klyuev, N.A.; Fedulova, I.V.; Gnatov, N.I.; Garmash, S.N. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1984 , vol. 20, # 8 p. 924 - 927 Khimiya Geterotsiklicheskikh Soedinenii, 1984 , # 8 p. 1129 - 1132

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P362-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   126.68
  • LogP   -1.1419
  • H_Acceptors   6
  • H_Donors   2
  • Rotatable_Bonds   1

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