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CS-W001157 4
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5'-Deoxy-2',3'-di-O-acetyl-5-fluorocytidine Capecitabine Impurity

  • CAS No. 161599-46-8

  • Cat. No. CS-0188808
  • Purity≥98%
  • MDL No.MFCD07369302

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

5'-Deoxy-2',3'-di-O-acetyl-5-fluorocytidine Capecitabine Impurity|CS-0188808

Structure of 161599-46-8

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General Information

  • CAS No. 161599-46-8
  • Cat. No. CS-0188808
  • Purity ≥98%
  • MDL No. MFCD07369302
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆FN₃O₆
  • Molecular Weight 329.28
  • Synonym(s) Di-O-acetyl-5'-deoxy-5-fuluro-D-cytidine, 2',3'-
  • SMILES CC(O[C@H]1[C@@](N2C(N=C(C(F)=C2)N)=O)([H])O[C@@H]([C@H]1OC(C)=O)C)=O

Synthesis

  • Route1
    • Flucytosine Capecitabine Impurity|CS-0188806
      2022-85-7
    • null|null
      27821-07-4
    • ~82%
    • 5'-Deoxy-2',3'-di-O-acetyl-5-fluorocytidine Capecitabine Impurity|CS-0188808
      161599-46-8

    References

    • ScinoPharm Taiwan Ltd. Patent: US2011/21769 A1, 2011 ; Location in patent: Page/Page column 3; 5 ;
  • Route2
    • Flucytosine Capecitabine Impurity|CS-0188806
      2022-85-7
    • (3R,4R,5R)-5-Methyltetrahydrofuran-2,3,4-triyl triacetate|CS-0089030
      37076-71-4
    • ~%
    • 5'-Deoxy-2',3'-di-O-acetyl-5-fluorocytidine Capecitabine Impurity|CS-0188808
      161599-46-8

    References

    • WO2010/65586 A2, ; Page/Page column 23 ;
  • Route3
    • (3R,4R,5R)-5-Methyltetrahydrofuran-2,3,4-triyl triacetate|CS-0089030
      37076-71-4
    • null|null
      41108-04-7
    • ~%
    • 5'-Deoxy-2',3'-di-O-acetyl-5-fluorocytidine Capecitabine Impurity|CS-0188808
      161599-46-8

    References

    • WO2010/85377 A2, ; Page/Page column 54 ; WO 2010/085377 A2

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   122.74
  • LogP   -0.2547
  • H_Acceptors   9
  • H_Donors   1
  • Rotatable_Bonds   3

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