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CS-W001157 4
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(1R,3r,5S)-8-Isopropyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate Ipratropium Impurity

  • CAS No. 22235-81-0

  • Cat. No. CS-0379875
  • Molecule weight317.42
  • Purity≥98%
  • MDL No.MFCD28898375

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

(1R,3r,5S)-8-Isopropyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate Ipratropium Impurity|CS-0379875

Structure of 22235-81-0

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General Information

  • CAS No. 22235-81-0
  • Cat. No. CS-0379875
  • Purity ≥98%
  • MDL No. MFCD28898375
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₉H₂₇NO₃
  • Molecular Weight 317.42
  • Synonym(s) α-(HydroxyMethyl)benzeneacetic Acid endo-8-(1-Methylethyl)-8- azabicyclo[3.2.1]oct-3-yl Ester
  • SMILES CC(N1[C@H]2C[C@@H](C[C@@H]1CC2)OC(C(C3=CC=CC=C3)CO)=O)C

Synthesis

  • Route1
    • null|null
      67-64-1
    • Noratropine|CS-0113853
      16839-98-8
    • ~63%
    • (1R,3r,5S)-8-Isopropyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate Ipratropium Impurity|CS-0379875
      22235-81-0

    References

    • Issa, Fatiah; Kassiou, Michael; Chan, Hak-Kim; McLeod, Malcolm D. Australian Journal of Chemistry, 2006 , vol. 59, # 1 p. 53 - 58
  • Route2

    References

    • Issa, Fatiah; Kassiou, Michael; Chan, Hak-Kim; McLeod, Malcolm D. Australian Journal of Chemistry, 2006 , vol. 59, # 1 p. 53 - 58
  • Route3
    • null|null
      14510-37-3
    • ~%
    • (1R,3r,5S)-8-Isopropyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate Ipratropium Impurity|CS-0379875
      22235-81-0

    References

    • Tsyskovskaia, Irina; Kandil, Mustapha; Beaumier, Yves Synthetic Communications, 2007 , vol. 37, # 3 p. 439 - 446

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

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Computational Chemistry Data

  • TPSA   49.77
  • LogP   2.7095
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   5

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