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CS-W001157 4
Total: USD 88.00

7-Desmethyl-agomelatine

  • CAS No. 152302-45-9

  • Cat. No. CS-0111232
  • Molecule weightNone
  • Purity≥98%
  • MDL No.MFCD20271735

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

7-Desmethyl-agomelatine|CS-0111232

Structure of 152302-45-9

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General Information

  • CAS No. 152302-45-9
  • Cat. No. CS-0111232
  • Purity ≥98%
  • MDL No. MFCD20271735
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₅NO₂
  • Molecular Weight None
  • Synonym(s) None
  • SMILES CC(NCCC1=C2C=C(O)C=CC2=CC=C1)=O

Synthesis

  • Route1

    References

    • Ettaoussi, Mohamed; Sabaouni, Ahmed; Rami, Marouan; Boutin, Jean A.; Delagrange, Philippe; Renard, Pierre; Spedding, Michael; Caignard, Daniel-Henri; Berthelot, Pascal; Yous, Said European Journal of Medicinal Chemistry, 2012 , vol. 49, p. 310 - 323
  • Route2
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      296280-78-9
    • ~%
    • In-stock
      7-Desmethyl-agomelatine|CS-0111232
      152302-45-9

    References

    • SYMED LABS LIMITED; MOHAN RAO, Dodda; ANNA REDDY, Ambati Patent: WO2014/64706 A1, 2014 ; Location in patent: Page/Page column 76 ;
  • Route3

    References

    • Depreux; Lesieur; Mansour; Morgan; Howell; Renard; Caignard; Pfeiffer; Delagrange; Guardiola; Yous; Demarque; Adam; Andrieux Journal of Medicinal Chemistry, 1994 , vol. 37, # 20 p. 3231 - 3239

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   49.33
  • LogP   2.224
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   3

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