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CS-W001157 4
Total: USD 88.00

Allopurinol impurity 4

  • CAS No. 5334-31-6

  • Cat. No. CS-0229685
  • Molecule weight126.12
  • Purity≥98%
  • MDL No.MFCD00082808

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

Allopurinol impurity 4|CS-0229685

Structure of 5334-31-6

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General Information

  • CAS No. 5334-31-6
  • Cat. No. CS-0229685
  • Purity ≥98%
  • MDL No. MFCD00082808
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₆N₄O
  • Molecular Weight 126.12
  • Synonym(s) Allopurinol impurity A
  • SMILES O=C(N)C1=CNN=C1N

Synthesis

  • Route1
    • 3-Amino-4-pyrazolecarbonitrile Allopurinol Impurity|CS-0229543
      16617-46-2
    • ~52%
    • Allopurinol impurity 4|CS-0229685
      5334-31-6

    References

    • Ouyang, Xiaohu; Piatnitski, Evgueni L.; Pattaropong, Vatee; Chen, Xiaoling; He, Hai-Ying; Kiselyov, Alexander S.; Velankar, Avdhoot; Kawakami, Joel; Labelle, Marc; Smith II, Leon; Lohman, Julia; Lee, Sui Ping; Malikzay, Asra; Fleming, James; Gerlak, Jason; Wang, Ying; Rosler, Robin L.; Zhou, Kai; Mitelman, Stan; Camara, Margarita; Surguladze, David; Doody, Jacqueline F.; Tuma, M. Carolina Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 5 p. 1191 - 1196

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

Quality Control

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Computational Chemistry Data

  • TPSA   97.79
  • LogP   -0.9092
  • H_Acceptors   3
  • H_Donors   3
  • Rotatable_Bonds   1

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