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QSPR/QSAR in N-[(dimethylamine)methyl] benzamides substituents groups influence upon electronic distribution and local anesthetics activity.

Abstract：

:It was determined, with a systematic mode, the carbonyl group frequency in the region of the infrared of N-[(dimethylamine)methyl] benzamides 4-substituted (set A) and their hydrochlorides (set B), that had its local anesthetical activity evaluated. The application of the Hammett equation considering the values of the absorption frequency of carbonyl group, nu(C=O,) using the electronic constants sigma, sigma(I), sigma(R), I and R leads to meaningful correlation. The nature and the contribution of substituent group electronic effects on the polarity of the carbonyl group was also analyzed. The use of the nu(C=O) as an experimental electronic parameter for QSPR studies was validated.

journal_name

Bioorg Med Chem

journal_title

Bioorganic & medicinal chemistry

authors

Tavares LC,do Amaral AT

doi

10.1016/j.bmc.2004.01.011

subject

Has Abstract

pub_date

2004-03-15 00:00:00

pages

1377-81

issue

6

eissn

0968-0896

issn

1464-3391

pii

S0968089604000446

journal_volume

12

pub_type

杂志文章

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