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CS-W001157 4
Total: USD 88.00

Cetirizine methyl ester

  • CAS No. 83881-46-3

  • Cat. No. CS-0012903
  • Molecule weight402.91
  • Purity≥98%
  • MDL No.MFCD18252586

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

Cetirizine methyl ester|CS-0012903

Structure of 83881-46-3

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General Information

  • CAS No. 83881-46-3
  • Cat. No. CS-0012903
  • Purity ≥98%
  • MDL No. MFCD18252586
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₂H₂₇ClN₂O₃
  • Molecular Weight 402.91
  • Synonym(s) None
  • SMILES O=C(COCCN1CCN(C(C2=CC=C(C=C2)Cl)C3=CC=CC=C3)CC1)OC

Synthesis

  • Route1

    References

    • Chemagis Ltd. Patent: EP952153 A2, 1999 ;
  • Route2

    References

    • HANLIM PHARMACEUTICAL CO., LTD. Patent: WO2005/73207 A1, 2005 ; Location in patent: Page/Page column 8 ;
  • Route3
    • In-stock
      Cetirizine dihydrochloride|CS-1798
      83881-52-1
    • null|null
      18107-18-1
    • ~97%
    • In-stock
      Cetirizine methyl ester|CS-0012903
      83881-46-3

    References

    • Pflum, Derek A.; Wilkinson, H. Scott; Tanoury, Gerald J.; Kessler, Donald W.; Kraus, Hali B.; Senanayake, Chris H.; Wald, Stephen A. Organic Process Research and Development, 2001 , vol. 5, # 2 p. 110 - 115

Safety Information

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GHS Pictogram : N/A
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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   42.01
  • LogP   3.2366
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   8

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