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Methotrexate impurity 3

  • CAS No. 5623-18-7

  • Cat. No. CS-0532026
  • Molecule weight326.32
  • Purity≥98%
  • MDL No.MFCD01660465

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

Methotrexate impurity 3|CS-0532026

Structure of 5623-18-7

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General Information

  • CAS No. 5623-18-7
  • Cat. No. CS-0532026
  • Purity ≥98%
  • MDL No. MFCD01660465
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₄N₆O₃
  • Molecular Weight 326.32
  • Synonym(s) Metfol-B
  • SMILES O=C(O)C1=CC=C(C=C1)N(C)CC=2N=C3C(=O)N=C(N=C3NC2)N

Description

.

Synthesis

  • Route1
    • 4-Aminobenzoic acid Conivaptan Impurity|CS-0213989
      150-13-0
    • ~%
    • Methotrexate impurity 3|CS-0532026
      5623-18-7

    References

    • Cosulich; Smith Journal of the American Chemical Society, 1948 , vol. 70, p. 1922,1925
  • Route2

    References

    • Cosulich; Smith Journal of the American Chemical Society, 1948 , vol. 70, p. 1922,1925
  • Route3

    References

    • Am.Cyanamid Co. Patent: US2525150 , 1949 ;

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   138.09
  • LogP   0.5815
  • H_Acceptors   7
  • H_Donors   3
  • Rotatable_Bonds   4

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