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CS-W001157 4
Total: USD 88.00

(6aR,9R,10aR)-7-Allyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxylic acid Cabergoline Impurity

  • CAS No. 81409-74-7

  • Cat. No. CS-0532364
  • Molecule weight296.36
  • Purity≥98%
  • MDL No.None

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

(6aR,9R,10aR)-7-Allyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxylic acid Cabergoline Impurity|CS-0532364

Structure of 81409-74-7

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General Information

  • CAS No. 81409-74-7
  • Cat. No. CS-0532364
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₈H₂₀N₂O₂
  • Molecular Weight 296.36
  • Synonym(s) YAICYXFUKKMAKO-XNRPHZJLSA-N
  • SMILES C=CCN1[C@@]2([H])[C@@](C[C@H](C1)C(O)=O)([H])C3=CC=CC4=C3C(C2)=CN4

Synthesis

  • Route1
    • 6-Allyl-8b-carboxyergoline Methyl Ester|CS-0856020
      72821-79-5
    • ~85%
    • (6aR,9R,10aR)-7-Allyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxylic acid Cabergoline Impurity|CS-0532364
      81409-74-7

    References

    • Apotex Pharmachem Inc. Patent: US2008/275240 A1, 2008 ; Location in patent: Page/Page column 11-12 ;
  • Route2
    • null|null
      81409-91-8
    • ~83%
    • (6aR,9R,10aR)-7-Allyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxylic acid Cabergoline Impurity|CS-0532364
      81409-74-7

    References

    • Apotex Pharmachem Inc. Patent: US2008/275240 A1, 2008 ; Location in patent: Page/Page column 12-13 ;
  • Route3

    References

    • Dosa, Peter I.; Ward, Tim; Walters, Michael A.; Kim, Suck Won ACS Medicinal Chemistry Letters, 2013 , vol. 4, # 2 p. 254 - 258

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-H362
Precautionary Statements : P260-P263-P264-P270-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   56.33
  • LogP   2.7687
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   3

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