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CS-W001157 4
Total: USD 88.00

1'-epi Gemcitabine hydrochloride

  • CAS No. 122111-05-1

  • Cat. No. CS-0113839
  • Purity≥98%
  • MDL No.MFCD01735988

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

1'-epi Gemcitabine hydrochloride|CS-0113839

Structure of 122111-05-1

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General Information

  • CAS No. 122111-05-1
  • Cat. No. CS-0113839
  • Purity ≥98%
  • MDL No. MFCD01735988
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₂ClF₂N₃O₄
  • Molecular Weight 299.66
  • Synonym(s) 1'-epi LY 188011 (hydrochloride)
  • SMILES O[C@H]1C(F)(F)[C@@H](N2C(N=C(N)C=C2)=O)O[C@@H]1CO.Cl

Synthesis

  • Route1
    • 2’,2’-Difluoro-2’-deoxycytidine|CS-0792620
      103882-84-4
    • ~%
    • In-stock
      1'-epi Gemcitabine hydrochloride|CS-0113839
      122111-05-1
    • In-stock
      Gemcitabine hydrochloride|CS-0755
      122111-03-9

    References

    • DR. REDDY'S LABORATORIES LTD.; DR. REDDY'S LABORATORIES, INC. Patent: WO2007/117760 A2, 2007 ; Location in patent: Page/Page column 21 ;
  • Route2

    References

    • POLTURI, Ramesh, Babu; VENKATA, Subramanian, Hariharakrishnan; BETINI, Ramesh Patent: WO2005/95430 A1, 2005 ; Location in patent: Page/Page column 18-20 ;

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   110.6
  • LogP   -0.8668
  • H_Acceptors   7
  • H_Donors   3
  • Rotatable_Bonds   2

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