Physicochemical parameters involved in the lethal toxicity of N, N-[(dimethylamino) ethyl]-4-substituted benzoate hydrochlorides: a QSAR study

…, R Neidlein, M Gallacci, L Caprara, Y Miyazaki

Index: Do Amaral; Oliveira; Neidlein; Gallacci; Caprara; Miyazaki European Journal of Medicinal Chemistry, 1997 , vol. 32, # 5 p. 433 - 443

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Citation Number: 23

Abstract

A set of sixteen para-substituted N, N-[(dimethylamino) ethyl] benzoate hydrochlorides structurally related to procaine was synthesized. The apparent partition coefficients were determined by either shake-flask or HPLC methods and were taken as hydrophobic parameters. The IR stretching frequencies of the carbonyl group were determined in chloroform and taken as one of the electronic parameters. Additional physicochemical ...