(R)-4-(4-fluorophenyl)-1-[2-hydroxy-2-(3-methyl-1-benzofuran-2-yl)ethyl]piperazinium chloride propan-1-ol solvate

Acta Crystallogr C. 2004 Jul;60(Pt 7):o494-5. doi: 10.1107/S0108270104011369. Epub 2004 Jun 22.

Abstract

The title compound, C21H24FN2O2+.Cl-.C3H8O, is a potential drug designed as a hybrid compound with antihypertensive, antioxidant and beta-adrenolytic activity. The cation contains nearly planar benzofuran and fluorophenyl ring systems, as well as a piperazine ring adopting an almost perfect chair conformation. The benzofuran and piperazine moieties are connected by an ethyl chain, the moieties forming a dihedral angle of 163.12 (13) degrees. In the crystal structure, ions and propanol solvent molecules are linked via N-H...Cl and O-H...Cl bonds into linear (010) chains.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Antihypertensive Agents / chemistry*
  • Benzofurans / chemistry*
  • Crystallography, X-Ray
  • Estranes / chemistry*
  • Molecular Structure
  • Piperazines / chemistry*
  • Propanols / chemistry*
  • Pyrimidines / chemistry*
  • Sesquiterpenes / chemistry*
  • Stereoisomerism

Substances

  • 2'-amino-3-methoxypyrimidino(5',4':16,17)estra-1,3,5(10),16-tetraene
  • 4-(4-fluorophenyl)-1-(2-hydroxy-2-(3-methyl-1-benzofuran-2-yl)ethyl)piperazinium chloride propan-1-ol
  • Antihypertensive Agents
  • Benzofurans
  • Estranes
  • Piperazines
  • Propanols
  • Pyrimidines
  • Sesquiterpenes
  • rac-eudesm-7(11)-en-4-ol