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5-Chloro-1-(piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one Domperidone Impurity

  • CAS No. 53786-28-0

  • Cat. No. CS-0229686
  • Purity≥98%
  • MDL No.MFCD02093793

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

5-Chloro-1-(piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one Domperidone Impurity|CS-0229686

Structure of 53786-28-0

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General Information

  • CAS No. 53786-28-0
  • Cat. No. CS-0229686
  • Purity ≥98%
  • MDL No. MFCD02093793
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄ClN₃O
  • Molecular Weight None
  • Synonym(s) 1-(4-PIPERIDINYL)-1,3-DIHYDRO-5-CHLOROBENZIMIDAZOLONE
  • SMILES C1=CC2=C(C=C1Cl)N=C(N2C3CCNCC3)O

Synthesis

  • Route1
    • null|null
      53786-46-2
    • ~96%
    • 5-Chloro-1-(piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one Domperidone Impurity|CS-0229686
      53786-28-0

    References

    • Henning; Lattrell; Gerhards; Leven Journal of Medicinal Chemistry, 1987 , vol. 30, # 5 p. 814 - 820
  • Route2
    • null|null
      53786-44-0
    • ~%
    • 5-Chloro-1-(piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one Domperidone Impurity|CS-0229686
      53786-28-0

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 16, # 19 p. 5052 - 5056
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 30, # 5 p. 814 - 820

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-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   50.08
  • LogP   2.3198
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   1

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