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CS-W001157 4
Total: USD 88.00

(2R,3R,4R,5R)-2-(Acetoxymethyl)-5-(6-oxo-1H-purin-9(6H)-yl)tetrahydrofuran-3,4-diyl diacetate Cytarabine Impurity

  • CAS No. 3181-38-2

  • Cat. No. CS-0168210
  • Purity≥98%
  • MDL No.MFCD00038617

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

(2R,3R,4R,5R)-2-(Acetoxymethyl)-5-(6-oxo-1H-purin-9(6H)-yl)tetrahydrofuran-3,4-diyl diacetate Cytarabine Impurity|CS-0168210

Structure of 3181-38-2

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General Information

  • CAS No. 3181-38-2
  • Cat. No. CS-0168210
  • Purity ≥98%
  • MDL No. MFCD00038617
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₈N₄O₈
  • Molecular Weight 394.34
  • Synonym(s) None
  • SMILES O=C1NC=NC2=C1N=CN2[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O

Synthesis

  • Route1

    References

    • Patching, Simon G.; Baldwin, Stephen A.; Baldwin, Alexander D.; Young, James D.; Gallagher, Maurice P.; Henderson, Peter J. F.; Herbert, Richard B. Organic and Biomolecular Chemistry, 2005 , vol. 3, # 3 p. 462 - 470
  • Route2
    • null|null
      1441063-52-0
    • null|null
      112-55-0
    • ~95%
    • null|null
      63067-62-9
    • (2R,3R,4R,5R)-2-(Acetoxymethyl)-5-(6-oxo-1H-purin-9(6H)-yl)tetrahydrofuran-3,4-diyl diacetate Cytarabine Impurity|CS-0168210
      3181-38-2

    References

    • Mola, Laura; Font, Joan; Bosch, Lluis; Caner, Joaquim; Costa, Anna M.; Etxebarria-Jardi, Gorka; Pineda, Oriol; De Vicente, David; Vilarrasa, Jaume Journal of Organic Chemistry, 2013 , vol. 78, # 12 p. 5832 - 5842
  • Route3
    • In-stock
      6-Chloro-9-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)-9H-purine|CS-0040951
      5987-73-5
    • N,N-Dimethylhydroxylamine;hydrochloride|CS-0757536
      16645-06-0
    • ~81%
    • null|null
      31199-61-8
    • (2R,3R,4R,5R)-2-(Acetoxymethyl)-5-(6-oxo-1H-purin-9(6H)-yl)tetrahydrofuran-3,4-diyl diacetate Cytarabine Impurity|CS-0168210
      3181-38-2

    References

    • Journal of Organic Chemistry, , vol. 53, # 9 p. 1887 - 1894

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   151.7
  • LogP   -0.5565
  • H_Acceptors   11
  • H_Donors   1
  • Rotatable_Bonds   5

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