Quantitative structure-activity relationship study of the biophysicochemical behavior of nitrosamine

J Pharm Sci. 1992 Aug;81(8):791-6. doi: 10.1002/jps.2600810814.

Abstract

The partition coefficients of 14 aliphatic nitrosamines were measured in six water-organic solvent systems. Correlations between Hansch's hydrophobic parameter (pi) and Kier and Hall's topological index (1 chi) allowed pi to be substituted by 1 chi in the structure-activity correlations of the carcinogenicity data of the nitrosamines studied. The use of high-performance liquid chromatographic capacity factors of nitrosamines in these correlations is also discussed.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Chemical Phenomena
  • Chemistry, Physical
  • Mathematical Computing
  • Nitrosamines / chemistry*
  • Nitrosamines / pharmacology
  • Predictive Value of Tests
  • Solubility
  • Structure-Activity Relationship

Substances

  • Nitrosamines