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CS-W001157 4
Total: USD 88.00

(1R,3S)-methyl 1-(benzo[d][1,3]dioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate Tadalafil Impurity

  • CAS No. 629652-44-4

  • Cat. No. CS-0166247
  • Purity≥98%
  • MDL No.None

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

(1R,3S)-methyl 1-(benzo[d][1,3]dioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate  Tadalafil Impurity|CS-0166247

Structure of 629652-44-4

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General Information

  • CAS No. 629652-44-4
  • Cat. No. CS-0166247
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₂H₁₉ClN₂O₅
  • Molecular Weight 426.85
  • Synonym(s) Tadalafil-004-1R3S
  • SMILES O=C([C@@H]1CC2=C([C@@H](C3=CC=C(OCO4)C4=C3)N1C(CCl)=O)NC5=C2C=CC=C5)OC

Synthesis

  • Route1

    References

    • Daugan, Alain; Grondin, Pascal; Ruault, Cecile; Le Monnier de Gouville, Anne-Charlotte; Coste, Herve; Linget, Jean Michel; Kirilovsky, Jorge; Hyafil, Francois; Labaudinieret, Richard Journal of Medicinal Chemistry, 2003 ,  vol. 46,  # 21  p. 4533 - 4542

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   80.86
  • LogP   3.1511
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   3

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