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CS-W001157 4
Total: USD 88.00

3-(((2S,3R)-2-((S)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1H-1,2,4-triazol-5(4H)-one Aprepitant Impurity

  • CAS No. 172822-29-6

  • Cat. No. CS-0513995
  • Purity≥98%
  • MDL No.None

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

3-(((2S,3R)-2-((S)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1H-1,2,4-triazol-5(4H)-one Aprepitant Impurity|CS-0513995

Structure of 172822-29-6

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General Information

  • CAS No. 172822-29-6
  • Cat. No. CS-0513995
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₃H₂₁F₇N₄O₃
  • Molecular Weight 534.43
  • Synonym(s) ent-Aprepitant
  • SMILES C[C@@H](C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)O[C@H](OCC2)[C@](C3=CC=C(C=C3)F)([H])N2CC4=NNC(N4)=O

Description

Pharmaceutical secondary standards for application in quality control provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standardsThese Secondary Standards are qualified as Certified Reference Materials. These are suitable for use in several analytical applications including but not limited to pharma release testing, pharma method development for qualitative and quantitative analyses, food and beverage quality control testing, and other calibration requirements.

Synthesis

  • Route1
    • null|null
      327623-37-0
    • In-stock
      3-(chloromethyl)-1H-1,2,4-triazol-5(4H)-one|CS-W018467
      252742-72-6
    • ~95%
    • 3-(((2S,3R)-2-((S)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1H-1,2,4-triazol-5(4H)-one Aprepitant Impurity|CS-0513995
      172822-29-6

    References

    • Gangula, Srinivas; Elati, Chandrashekhar R.; Mudunuru, Satish Varma; Nardela, Anitha; Dongamanti, Ashok; Bhattacharya, Apurba; Bandichhor, Rakeshwar Synthetic Communications, 2010 , vol. 40, # 15 p. 2254 - 2268
  • Route2
    • null|null
      1523569-82-5
    • ~%
    • 3-(((2S,3R)-2-((S)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1H-1,2,4-triazol-5(4H)-one Aprepitant Impurity|CS-0513995
      172822-29-6

    References

    • Chinese Chemical Letters, , vol. 24, # 12 p. 1118 - 1122
  • Route3
    • null|null
      1523569-83-6
    • ~%
    • 3-(((2S,3R)-2-((S)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1H-1,2,4-triazol-5(4H)-one Aprepitant Impurity|CS-0513995
      172822-29-6

    References

    • Chinese Chemical Letters, , vol. 24, # 12 p. 1118 - 1122

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-H413
Precautionary Statements : P264-P270-P273-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   83.24
  • LogP   4.9521
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   6

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