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CS-W001157 4
Total: USD 88.00

Dabigatran impurity 10

  • CAS No. 91192-27-7

  • Cat. No. CS-0165922
  • Purity≥98%
  • MDL No.MFCD11186189

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

Dabigatran impurity 10|CS-0165922

Structure of 91192-27-7

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General Information

  • CAS No. 91192-27-7
  • Cat. No. CS-0165922
  • Purity ≥98%
  • MDL No. MFCD11186189
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂O₂
  • Molecular Weight 176.18
  • Synonym(s) None
  • SMILES O=C(O)CNC1=CC=CC(C#N)=C1

Synthesis

  • Route1
    • Ethyl (3-cyanophenyl)glycinate|CS-0348171
      92316-76-2
    • ~98%
    • In-stock
      Dabigatran impurity 10|CS-0165922
      91192-27-7

    References

    • Bristol-Myers Squibb Pharma Company Patent: EP946508 B1, 2009 ; Location in patent: Page/Page column 70 ;
  • Route2
    • Tert-butyl (3-cyanophenyl)glycinate|CS-0521577
      194162-74-8
    • ~%
    • In-stock
      Dabigatran impurity 10|CS-0165922
      91192-27-7

    References

    • Sall, Daniel J.; Arfsten, Ann E.; Berry, Dennis R.; Denney, Michael L.; Harms, Cathy S.; McCowan, Jefferson R.; Ray, Judith K.; Scarborough, Robert M.; Um, Suzane L.; Utterback, Barbara G.; Jakubowski, Joseph A. Bioorganic and Medicinal Chemistry Letters, 1996 , vol. 6, # 1 p. 81 - 86
  • Route3
    • null|null
      2237-30-1
    • ~%
    • In-stock
      Dabigatran impurity 10|CS-0165922
      91192-27-7

    References

    • Sall, Daniel J.; Arfsten, Ann E.; Bastian, Jolie A.; Denney, Michael L.; Harms, Cathy S.; McCowan, Jefferson R.; Morin Jr., John M.; Rose, Jack W.; Scarborough, Robert M.; Smyth, Mark S.; Um, Suzane L.; Utterback, Barbara G.; Vasileff, Robert T.; Wikel, James H.; Wyss, Virginia L.; Jakubowski, Joseph A. Journal of Medicinal Chemistry, 1997 , vol. 40, # 18 p. 2843 - 2857

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   73.12
  • LogP   1.05478
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   3

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