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CS-W001157 4
Total: USD 88.00

7-Benzyl-8-bromo-3-methyl-3,7-dihydro-1H-purine-2,6-dione

  • CAS No. 93703-26-5

  • Cat. No. CS-0315369
  • Purity≥98%
  • MDL No.None

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

7-Benzyl-8-bromo-3-methyl-3,7-dihydro-1H-purine-2,6-dione|CS-0315369

Structure of 93703-26-5

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General Information

  • CAS No. 93703-26-5
  • Cat. No. CS-0315369
  • Purity ≥98%
  • MDL No. None
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₁BrN₄O₂
  • Molecular Weight 335.16
  • Synonym(s) 7-Benzyl-8-bromo-3-methylxanthine
  • SMILES CN1C2=C(N(C(Br)=N2)CC3=CC=CC=C3)C(NC1=O)=O

Synthesis

  • Route1
    • null|null
      100-39-0
    • 8-Bromo-3-methyl-1H-purine-2,6(3H,7H)-dione Linagliptin Impurity|CS-0229784
      93703-24-3
    • ~90%
    • In-stock
      7-Benzyl-8-bromo-3-methyl-3,7-dihydro-1H-purine-2,6-dione|CS-0315369
      93703-26-5

    References

    • Cell Therapeutics, Inc. Patent: US6878715 B1, 2005 ;
  • Route2
    • null|null
      100-44-7
    • null|null
      93703-25-4
    • ~72%
    • In-stock
      7-Benzyl-8-bromo-3-methyl-3,7-dihydro-1H-purine-2,6-dione|CS-0315369
      93703-26-5

    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

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   72.68
  • LogP   1.2341
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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