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CS-W001157 4
Total: USD 88.00

4-Hydroxy-4-(1-methylpiperidin-4-yl)-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-10(9H)-one Ketotifen Impurity

  • CAS No. 126939-27-3

  • Cat. No. CS-0533375
  • Purity≥98%
  • MDL No.None

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

4-Hydroxy-4-(1-methylpiperidin-4-yl)-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-10(9H)-one Ketotifen Impurity|CS-0533375

Structure of 126939-27-3

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General Information

  • CAS No. 126939-27-3
  • Cat. No. CS-0533375
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₉H₂₁NO₂S
  • Molecular Weight 327.44
  • Synonym(s) 4-Hydroxy Ketotifen
  • SMILES O=C1C2=C(C(C3=C(C1)C=CC=C3)(C4CCN(CC4)C)O)C=CS2

Synthesis

  • Route1
    • 10-Methoxy-4-(1-methylpiperidin-4-yl)-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ol Ketotifen Impurity|CS-0533373
      59743-88-3
    • ~%
    • 4-Hydroxy-4-(1-methylpiperidin-4-yl)-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-10(9H)-one Ketotifen Impurity|CS-0533375
      126939-27-3

    References

    • Helvetica Chimica Acta, , vol. 59, # 3 p. 866 - 877
  • Route2

    References

    • Helvetica Chimica Acta, , vol. 59, # 3 p. 866 - 877
  • Route3
    • null|null
      63463-36-5
    • ~%
    • 4-Hydroxy-4-(1-methylpiperidin-4-yl)-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-10(9H)-one Ketotifen Impurity|CS-0533375
      126939-27-3

    References

    • Helvetica Chimica Acta, , vol. 59, # 3 p. 866 - 877

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   40.54
  • LogP   3.0646
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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