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CS-W001157 4
Total: USD 88.00

Fingolimod impurity 3

  • CAS No. 162358-08-9

  • Cat. No. CS-0028571
  • Purity≥98%
  • MDL No.MFCD09840446

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

Fingolimod impurity 3|CS-0028571

Structure of 162358-08-9

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General Information

  • CAS No. 162358-08-9
  • Cat. No. CS-0028571
  • Purity ≥98%
  • MDL No. MFCD09840446
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₅H₃₉NO₅
  • Molecular Weight 433.58
  • Synonym(s) None
  • SMILES O=C(OCC)C(CCC1=CC=C(CCCCCCCC)C=C1)(NC(C)=O)C(OCC)=O

Synthesis

  • Route1
    • null|null
      268557-49-9
    • ~85%
    • Fingolimod impurity 3|CS-0028571
      162358-08-9

    References

    • WESTFAELISCHE WILHELMS-UNIVERSITAET MUENSTER; Haufe, Guenter; Levkau, Bodo; Schaefers, Michael; Schilson, Stefani Silke; Keul, Petra Patent: US2014/170067 A1, 2014 ; Location in patent: Paragraph 0490; 0491; 0492; 0493; 0494; 0495; 0496 ;
  • Route2
    • null|null
      1187769-24-9
    • ~%
    • Fingolimod impurity 3|CS-0028571
      162358-08-9

    References

    • WO2009/115534 A1, ; Page/Page column 25-26 ;
  • Route3

    References

    • Seidel, Guenter; Laurich, Daniel; Fuerstner, Alois Journal of Organic Chemistry, 2004 , vol. 69, # 11 p. 3950 - 3952

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   81.7
  • LogP   4.5233
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   15

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