Quantitative Structure Activity Studies of Di-and Triorganotin Compounds

摘要

Quantitative structure-activity relationships (QSAR) were developed for a structurally diverse set of di- and triorganotin compounds. It is suggested that partitioning behaviour plays a dominant role in organotin toxicity by controlling the dose. On a molar tin basis, the dose for a given level of toxicity is probably quite similar for di- and triorganotins tested. The relationship between exposure concentration and toxicity increases linearly only to a certain point before declining. Triorganotin compounds approximately the size (total surface area) of tricyclohexyltin are at or perhaps slightly above such a maximum. These studies of di- and triorganotin compounds suggest that such approaches are highly promising tools for the prediction of environmental effects of untested organotins, and perhaps other organometallic compounds.