Title : Metabolism and relative carcinogenic potency of chloroethanes: a quantum chemical structure-activity study.

Pub. Date : 1984 Jun

PMID : 6088030






1 Functional Relationships(s)
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1 Using the all-valence electron, semiempirical molecular orbital method, MNDO, properties have been identified and calculated for eight chloroethanes which can serve as indicators of their extent of transformation to alcohols by cytochrome P450 and the subsequent formation of aldehydes by loss of HCl from these alcohols. Aldehydes cytochrome P450 family 4 subfamily F member 3 Homo sapiens