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CS-W001157 4
Total: USD 88.00

Deacetyldiltiazem

  • CAS No. 42399-40-6

  • Cat. No. CS-0092530
  • Molecule weight372.48
  • Purity≥98%
  • MDL No.None

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

Deacetyldiltiazem|CS-0092530

Structure of 42399-40-6

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General Information

  • CAS No. 42399-40-6
  • Cat. No. CS-0092530
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₀H₂₄N₂O₃S
  • Molecular Weight 372.48
  • Synonym(s) None
  • SMILES CN(C)CCN1C2=CC=CC=C2S[C@@H](C3=CC=C(C=C3)OC)[C@H](C1=O)O

Synthesis

  • Route1
    • In-stock
      Diltiazem|CS-0009567
      42399-41-7
    • ~2%
    • null|null
      1268382-39-3
    • Deacetyldiltiazem|CS-0092530
      42399-40-6
    • null|null
      84903-82-2

    References

    • Slavik, Roger; Peters, Jens-Uwe; Giger, Rudolf; Buerkler, Markus; Bald, Eric Tetrahedron Letters, 2011 , vol. 52, # 7 p. 749 - 752
  • Route2

    References

    • Hanson, Kelsey L.; VandenBrink, Brooke M.; Babu, Kantipudi N.; Allen, Kyle E.; Nelson, Wendel L.; Kunze, Kent L. Drug Metabolism and Disposition, 2010 , vol. 38, # 6 p. 963 - 972
  • Route3

    References

    • Choudary, Boyapati M.; Chowdari, Naidu S.; Madhi, Sateesh; Kantam, Mannepalli L. Journal of Organic Chemistry, 2003 , vol. 68, # 5 p. 1736 - 1746

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-H320
Precautionary Statements : P264-P270-P305+P351+P338-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   53.01
  • LogP   2.7977
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   5

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