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CAS 629664-81-9

:

propan-2-yl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate

Description:
Propan-2-yl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate, with CAS number 629664-81-9, is a complex organic compound characterized by its unique structural features. It contains a tetrahydroazepine ring fused to an indole moiety, which contributes to its potential biological activity. The presence of a difluorobenzoyl group enhances its lipophilicity and may influence its interaction with biological targets. The propan-2-yl ester group suggests that it may exhibit moderate stability and solubility in organic solvents. This compound may be of interest in medicinal chemistry due to its potential pharmacological properties, possibly acting as a ligand or inhibitor in various biological pathways. Its synthesis and characterization would typically involve advanced organic synthesis techniques, and its properties could be further explored through spectroscopic methods such as NMR and mass spectrometry. Overall, the compound's intricate structure and functional groups suggest a potential for diverse applications in drug development and research.
Formula:C25H24F2N2O3
InChI:InChI=1/C25H24F2N2O3/c1-14(2)32-24(31)17-12-29(23(30)15-9-10-18(26)19(27)11-15)13-25(3,4)21-16-7-5-6-8-20(16)28-22(17)21/h5-12,14,28H,13H2,1-4H3
SMILES:CC(C)OC(=O)C1=CN(CC(C)(C)c2c3ccccc3[nH]c12)C(=O)c1ccc(c(c1)F)F
Synonyms:
  • Isopropyl-3-(3,4-difluorbenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indol-5-carboxylat
  • Turofexorate isopropyl (FXR-450)
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