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CS-W001157 4
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2-(Chloromethyl)-3,5-dimethylpyridin-4(1H)-one Esomeprazole Impurity

  • CAS No. 220771-03-9

  • Cat. No. CS-0166392
  • Purity≥95%
  • MDL No.MFCD13192038

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

2-(Chloromethyl)-3,5-dimethylpyridin-4(1H)-one  Esomeprazole Impurity|CS-0166392

Structure of 220771-03-9

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General Information

  • CAS No. 220771-03-9
  • Cat. No. CS-0166392
  • Purity ≥95%
  • MDL No. MFCD13192038
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀ClNO
  • Molecular Weight 171.62
  • Synonym(s) 4-Pyridinol, 2-(chloromethyl)-3,5-dimethyl-
  • SMILES O=C1C(C)=C(CCl)NC=C1C

Synthesis

  • Route1

    References

    • Kasibhatla, Srinivas R.; Hong, Kevin; Biamonte, Marco A.; Busch, David J.; Karjian, Patricia L.; Sensintaffar, John L.; Kamal, Adeela; Lough, Rachel E.; Brekken, John; Lundgren, Karen; Grecko, Roy; Timony, Gregg A.; Ran, Yingqing; Mansfield, Robert; Fritz, Lawrence C.; Ulm, Edgar; Burrows, Francis J.; Boehm, Marcus F. Journal of Medicinal Chemistry, 2007 , vol. 50, # 12 p. 2767 - 2778

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅱ
Hazard Statements : H290-H314
Precautionary Statements : P234-P260-P264-P280-P301+P330+P331-P304+P340-P363-P390-P405-P406-P501

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Computational Chemistry Data

  • TPSA   32.86
  • LogP   1.73054
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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