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CS-W001157 4
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Dibenzo[b,f][1,4]thiazepin-11(10H)-one Quetiapine Impurity

  • CAS No. 3159-07-7

  • Cat. No. CS-0229795
  • Purity≥97%
  • MDL No.MFCD00901197

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

Dibenzo[b,f][1,4]thiazepin-11(10H)-one Quetiapine Impurity|CS-0229795

Structure of 3159-07-7

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General Information

  • CAS No. 3159-07-7
  • Cat. No. CS-0229795
  • Purity ≥97%
  • MDL No. MFCD00901197
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₉NOS
  • Molecular Weight 227.28
  • Synonym(s) None
  • SMILES O=C1NC2=CC=CC=C2SC3=CC=CC=C13

Synthesis

  • Route1

    References

    • Polivka; Holubek; Svatek; et al. Collection of Czechoslovak Chemical Communications, 1983 , vol. 48, # 5 p. 1465 - 1476
  • Route2
    • null|null
      13739-55-4
    • ~97%
    • Dibenzo[b,f][1,4]thiazepin-11(10H)-one Quetiapine Impurity|CS-0229795
      3159-07-7

    References

    • ELI LILLY AND COMPANY Patent: WO2005/26177 A1, 2005 ; Location in patent: Page/Page column 75 ; WO 2005/026177 A1
  • Route3
    • null|null
      111974-73-3
    • ~95%
    • Dibenzo[b,f][1,4]thiazepin-11(10H)-one Quetiapine Impurity|CS-0229795
      3159-07-7

    References

    • Mahale, Ganesh D.; Kolekar, Yogesh M.; Kumar, Ashok; Singh, Dharmendra; Kodam, Kisan M.; Waghmode, Suresh B. Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2011 , vol. 50, # 9 p. 1196 - 1201

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   29.1
  • LogP   3.4035
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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