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Related Experiment Videos

Structural characterization of terflavoxate

A Leonardi1, R Cappelletti, D Nardi

  • 1Chemical Research Department, Recordati S.p.A., Milan, Italy.

Arzneimittel-Forschung
|March 1, 1993
PubMed
Summary
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Structural characterization of terflavoxate hydrochloride, a new antispasmodic, was confirmed using spectroscopic and X-ray methods. Its molecular structure features a rigid chromone core with specific functional group arrangements.

Area of Science:

  • Medicinal Chemistry
  • Structural Biology
  • Pharmacology

Background:

  • Terflavoxate hydrochloride (CAS 86433-39-8) is a novel antispasmodic agent targeting the lower urinary tract.
  • Understanding the precise molecular structure is crucial for its pharmacological activity and drug development.

Purpose of the Study:

  • To perform a comprehensive structural characterization of terflavoxate hydrochloride.
  • To elucidate the three-dimensional molecular architecture of this antispasmodic compound.

Main Methods:

  • Spectroscopic techniques including UV, IR, NMR, and Mass Spectrometry (MS) were employed.
  • X-ray crystal structure determination was utilized for detailed molecular analysis.

Main Results:

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  • Spectroscopic data fully confirmed the proposed chemical structure of terflavoxate hydrochloride.
  • X-ray analysis revealed a rigid chromone system forming the molecular platform.
  • The ester chain at C(8) adopts a specific conformation, creating a small hollow with two oxygen atoms.

    • Conclusions:

    • The structural integrity of terflavoxate hydrochloride was unequivocally established.
    • The unique molecular conformation may play a role in its antispasmodic mechanism of action in the lower urinary tract.