Difethialone

CAS: 104653-34-1

Ref. 3D-FD21844

Product Information

• Name: Difethialone
• Synonyms: 3-(3-(4'-Bromo(1,1'-biphenyl)-4-yl)-1,2,3,4-tetrahydro-1-naphthalenyl)-4-hydroxy-2H-1-benzothiapyran-2-one
• Brand: Biosynth
• Description: Difethialone is a coumarin derivative that has been used as an anticoagulant drug. It was first synthesized in 1951 and is still in use today. Difethialone inhibits the synthesis of prothrombin and other clotting factors by binding to the active site of the enzyme thrombin, which is responsible for the conversion of fibrinogen to fibrin. The long-term efficacy of difethialone has been evaluated using human serum samples with coumarin derivatives as substrates. The sample preparation, ionization techniques, and analytical methods were used to detect difethialone in human serum.

Chemical properties

• Molecular weight: 539.48 g/mol
• Formula: C₃₁H₂₃BrO₂S
• Purity: Min. 95%
• Color/Form: Powder
• InChI: InChI=1S/C31H23BrO2S/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,34H,17-18H2
• InChI key: InChIKey=VSVAQRUUFVBBFS-UHFFFAOYSA-N
• SMILES: O=c1c(C2CC(c3ccc(-c4ccc(Br)cc4)cc3)Cc3ccccc32)c(O)sc2ccccc12