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CS-W001157 4
Total: USD 88.00

Entacapone API

  • CAS No. 130929-57-6

  • Cat. No. CS-0566488
  • Molecule weight305.29
  • Purity≥95%
  • MDL No.MFCD00866580

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

Entacapone API|CS-0566488

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General Information

  • CAS No. 130929-57-6
  • Cat. No. CS-0566488
  • Purity ≥95%
  • MDL No. MFCD00866580
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₅N₃O₅
  • Molecular Weight 305.29
  • Synonym(s) Entacapone
  • SMILES O=C(N(CC)CC)/C(C#N)=C/C1=CC([N+]([O-])=O)=C(O)C(O)=C1

Synthesis

  • Route1
    • null|null
      146698-91-1
    • ~92%
    • In-stock
      Entacapone API|CS-0566488
      130929-57-6

    References

    • SUVEN LIFE SCIENCES LTD; JASTI, Venkat Patent: WO2005/63693 A1, 2005 ; Location in patent: Page/Page column 9 ;
  • Route2
    • null|null
      1047659-01-7
    • ~94%
    • In-stock
      Entacapone API|CS-0566488
      130929-57-6

    References

    • QUIMICA SINTETICA, S. A. Patent: WO2008/98960 A1, 2008 ; Location in patent: Page/Page column 12-13 ;
  • Route3
    • null|null
      857629-78-8
    • ~98%
    • In-stock
      Entacapone API|CS-0566488
      130929-57-6

    References

    • Dipharma Francis S.r.l. Patent: EP1935873 A1, 2008 ; Location in patent: Page/Page column 6 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335-H413
Precautionary Statements : P261-P264-P271-P273-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   127.7
  • LogP   1.78138
  • H_Acceptors   6
  • H_Donors   2
  • Rotatable_Bonds   5

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