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
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Research Support, Non-U.S. Gov't
MeSH terms
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Antihypertensive Agents / chemistry*
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Benzofurans / chemistry*
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Crystallography, X-Ray
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Estranes / chemistry*
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Molecular Structure
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Piperazines / chemistry*
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Propanols / chemistry*
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Pyrimidines / chemistry*
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Sesquiterpenes / chemistry*
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Stereoisomerism
Substances
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2'-amino-3-methoxypyrimidino(5',4':16,17)estra-1,3,5(10),16-tetraene
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4-(4-fluorophenyl)-1-(2-hydroxy-2-(3-methyl-1-benzofuran-2-yl)ethyl)piperazinium chloride propan-1-ol
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Antihypertensive Agents
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Benzofurans
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Estranes
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Piperazines
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Propanols
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Pyrimidines
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Sesquiterpenes
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rac-eudesm-7(11)-en-4-ol