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CS-W001157 4
Total: USD 88.00

5-Dehydro Tolvaptan

  • CAS No. 137973-76-3

  • Cat. No. CS-0138429
  • Purity≥97%
  • MDL No.MFCD19440797

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

5-Dehydro Tolvaptan|CS-0138429

Structure of 137973-76-3

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General Information

  • CAS No. 137973-76-3
  • Cat. No. CS-0138429
  • Purity ≥97%
  • MDL No. MFCD19440797
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₆H₂₃ClN₂O₃
  • Molecular Weight 446.93
  • Synonym(s) N-[4-[(7-Chloro-2,3,4,5-tetrahydro-5-oxo-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methylbenzamide
  • SMILES O=C(NC1=CC=C(C(N2CCCC(C3=CC(Cl)=CC=C32)=O)=O)C(C)=C1)C4=CC=CC=C4C

Synthesis

  • Route1
    • null|null
      201230-82-2
    • In-stock
      7-Chloro-1,2,3,4-tetrahydrobenzo[b]azepin-5-one|CS-W003331
      160129-45-3
    • null|null
      317374-07-5
    • ~85%
    • In-stock
      5-Dehydro Tolvaptan|CS-0138429
      137973-76-3

    References

    • OTSUKA PHARMACEUTICAL CO., LTD. Patent: WO2007/26971 A2, 2007 ; Location in patent: Page/Page column 32-33 ;
  • Route2
    • null|null
      933-88-0
    • In-stock
      Tolvaptan Impurity|CS-B1535
      137977-97-0
    • ~54%
    • In-stock
      5-Dehydro Tolvaptan|CS-0138429
      137973-76-3

    References

    • Kondo, Kazumi; Ogawa, Hidenori; Yamashita, Hiroshi; Miyamoto, Hisashi; Tanaka, Michinori; Nakaya, Kenji; Kitano, Kazuyoshi; Yamamura, Yoshitaka; Nakamura, Shigeki; Onogawa, Toshiyuki; Mori, Toyoki; Tominaga, Michiaki Bioorganic and Medicinal Chemistry, 1999 , vol. 7, # 8 p. 1743 - 1754
  • Route3

    References

    • EP2495236 A1, ; Page/Page column 7 ;

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
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   66.48
  • LogP   5.83244
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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