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CS-W001157 4
Total: USD 88.00

3-(1-Piperazinyl)-1,2-benzisothiazole Lurasidone Impurity

  • CAS No. 87691-87-0

  • Cat. No. CS-0214154
  • Molecule weight219.31
  • Purity≥98%
  • MDL No.None

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

3-(1-Piperazinyl)-1,2-benzisothiazole Lurasidone Impurity|CS-0214154

Structure of 87691-87-0

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General Information

  • CAS No. 87691-87-0
  • Cat. No. CS-0214154
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃N₃S
  • Molecular Weight 219.31
  • Synonym(s) 3-piperazin-1-yl-1,2-benzisothiazole
  • SMILES C1(N2CCNCC2)=NSC3=C1C=CC=C3

Synthesis

  • Route1
    • null|null
      1384511-83-4
    • ~71%
    • 3-(1-Piperazinyl)-1,2-benzisothiazole Lurasidone Impurity|CS-0214154
      87691-87-0

    References

    • MAPI PHARMA LTD.; MARON, Ehud; MIZHIRITSKII, Michael; TCHILIBON, Susanna; RUBNOV, Shai Patent: WO2013/14665 A1, 2013 ; Location in patent: Page/Page column 22; 23 ;
  • Route2

    References

    • Yevich, Joseph P.; New, James S.; Smith, David W.; Lobeck, Walter G.; Catt, John D.; et al. Journal of Medicinal Chemistry, 1986 , vol. 29, # 3 p. 359 - 369
  • Route3
    • null|null
      110-85-0
    • null|null
      184169-44-6
    • ~%
    • 3-(1-Piperazinyl)-1,2-benzisothiazole Lurasidone Impurity|CS-0214154
      87691-87-0

    References

    • US5679827 A1, ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H315-H319
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   28.16
  • LogP   1.7059
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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