The title compd. is triclinic, space group P‾1, with a 7.301(1), b 7.483(2), c 15.241(4) Å, α 88.28(3), β 77.28(1), and γ 84.30(1)°; dc = 1.306 for Z = 2. The final R = 0.039 and Rw = 0.049 for 2122 reflections. The principal cation-anion interactions involve O-H...Cl- and N-H...Cl hydrogen bonds. The compd., a 1-amino-3-benzoyloxypropanolamine deriv., is a potent β-adrenoreceptor blocker. The structure is compared to those of 2-arylethanolamine derivs. and 3-aryloxypropanolamine derivs., β-antagonists. The planar CH2-O-C(=O) moiety can mimic an arom. nucleus in interactions with the β-adrenoreceptor. At. coordinates are given.
Structure of 2-hydroxy-3-isopropylaminopropyl 3,4-methylenedioxybenzoate hydrochloride
LAPUCCI, ANNALINA;
1986-01-01
Abstract
The title compd. is triclinic, space group P‾1, with a 7.301(1), b 7.483(2), c 15.241(4) Å, α 88.28(3), β 77.28(1), and γ 84.30(1)°; dc = 1.306 for Z = 2. The final R = 0.039 and Rw = 0.049 for 2122 reflections. The principal cation-anion interactions involve O-H...Cl- and N-H...Cl hydrogen bonds. The compd., a 1-amino-3-benzoyloxypropanolamine deriv., is a potent β-adrenoreceptor blocker. The structure is compared to those of 2-arylethanolamine derivs. and 3-aryloxypropanolamine derivs., β-antagonists. The planar CH2-O-C(=O) moiety can mimic an arom. nucleus in interactions with the β-adrenoreceptor. At. coordinates are given.File in questo prodotto:
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