The crystal structure of KR-21042, an analgesic capsaicinoid

Arch Pharm Res. 2002 Feb;25(1):25-7. doi: 10.1007/BF02975256.

Abstract

The crystal structure of KR-21042, N-(3-Phenylpropyl)-4-hydroxy-3-methoxyphenylacetamide, was determined by single crystal X-ray diffraction analysis. The compound was recrystallized from a mixture of ethylacetate and n-hexane in monoclinic, space group P21/c, with a = 16.622(1), b = 6.215(1), c = 15.802(1) A, P= 104.97(1), and Z = 4. The calculated density is 1.261 g/cm3. The structure was solved by the direct method and refined by full matrix least-squares procedure to the final R value of 0.068 for 2332 observed reflections.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Analgesics / chemistry*
  • Capsaicin / analogs & derivatives*
  • Capsaicin / chemistry*
  • Crystallography, X-Ray
  • Hydrogen Bonding
  • Models, Molecular
  • Structure-Activity Relationship

Substances

  • Analgesics
  • N-(3-phenylpropyl)-4-hydroxy-3-methoxyphenylacetamide
  • Capsaicin