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CS-W001157 4
Total: USD 88.00

Capecitabine 2',3'-diacetate

  • CAS No. 162204-20-8

  • Cat. No. CS-0152130
  • Molecule weight443.42
  • Purity≥98%
  • MDL No.MFCD07369303

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

Capecitabine 2',3'-diacetate|CS-0152130

Structure of 162204-20-8

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General Information

  • CAS No. 162204-20-8
  • Cat. No. CS-0152130
  • Purity ≥98%
  • MDL No. MFCD07369303
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₉H₂₆FN₃O₈
  • Molecular Weight 443.42
  • Synonym(s) 5'-Deoxy-5-fluoro-N-[(pentyloxy)carbonyl]cytidine 2',3'-Diacetate
  • SMILES O=C1N([C@H]2[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](C)O2)C=C(F)C(NC(OCCCCC)=O)=N1

Synthesis

  • Route1
    • (3R,4R,5R)-5-Methyltetrahydrofuran-2,3,4-triyl triacetate|CS-0089030
      37076-71-4
    • Pentyl N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)carbamate|CS-0769041
      862508-03-0
    • ~28%
    • In-stock
      Capecitabine 2',3'-diacetate|CS-0152130
      162204-20-8

    References

    • Coll Farma S.L. Patent: EP2241556 A1, 2010 ; Location in patent: Page/Page column 9 ;
  • Route2
    • null|null
      638-41-5
    • In-stock
      5'-Deoxy-2',3'-di-O-acetyl-5-fluorocytidine|CS-0158243
      161599-46-8
    • ~%
    • In-stock
      Capecitabine 2',3'-diacetate|CS-0152130
      162204-20-8

    References

    • Shimma, Nobuo; Umeda, Isao; Arasaki, Motohiro; Murasaki, Chikako; Masubuchi, Kazunao; Kohchi, Yasunori; Miwa, Masanori; Ura, Masako; Sawada, Noriaki; Tahara, Hitoshi; Kuruma, Isamu; Horii, Ikuo; Ishitsuka, Hideo Bioorganic and Medicinal Chemistry, 2000 , vol. 8, # 7 p. 1697 - 1706
  • Route3
    • null|null
      1071455-34-9
    • null|null
      27821-07-4
    • ~%
    • In-stock
      Capecitabine 2',3'-diacetate|CS-0152130
      162204-20-8

    References

    • Organic Letters, , vol. 14, # 13 p. 3348 - 3351

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   135.05
  • LogP   1.9018
  • H_Acceptors   10
  • H_Donors   1
  • Rotatable_Bonds   8

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