This Article Full Text (PDF) Alert me when this article is cited Alert me if a correction is posted Services Similar articles in this journal Similar articles in PubMed Alert me to new issues of the journal Download to citation manager Citing Articles Citing Articles via Google Scholar Google Scholar Articles by Sapse, A. M. Articles by Osorio, L. Search for Related Content PubMed PubMed Citation Articles by Sapse, A. M. Articles by Osorio, L.

Self-Consistent-Field Comparative Studies of Some Nitrosoureas and Nitrosamides

City University of New York, Graduate School and John Jay College, New York, New York 10019 [A. M. S.], and City University of New York, Chemistry Department, Queensborough Community College, Bayside, New York 11364 [G. S., L. O.]

Ab initio (self-consistent-field) calculations are performed in order to obtain information about the most stable conformers of methylnitrosourea, chloroethyl nitrosourea, and their corresponding amides (methylnitrosamide and chloroethylnitrosamide). While nitrosoureas are found to exhibit a Z-conformation, nitrosamides are found to exhibit an E-conformation, a difference which could account for their different stabilities toward in vivo decomposition and which could, as such, influence their carcinostatic activity.

¹ To whom requests for reprints should be addressed.

Received 3/ 7/83. Accepted 2/ 8/84.