TY  - JOUR
A1  - Ulmer, Waldemar
T1  - A theoretical study of H3PO4, nor-N-mustard, and cyclophosphamide
T2  - Zeitschrift für Naturforschung, C
N2  - Some physical and chemical properties of the cancerostat cyclophosphamide (generic name: ENDOXAN) and its basic constituents H3PO4 and nor-N-mustard have been calculated with the help of a modified CNDO/S-method. The spectroscopic data of the H3PO4 , which is the starting-point for a corresponding calculation of cyclophosphamide, has been studied by taking account of the 3 d electron of the phosphorus. Nor-N-mustard is a very reactive compound, characterized by the ability to split off chloride ions and to act as an alkylating agent. The binding of the nor-N-mustard to the cyclic phosphate ester (cyclophosphamide) modifies the chemical reactivity of the mustard group in an essential way, and the 3d electron of the phosphorus plays an important role with respect to the excitability of the C -Cl bonds. Cyclophosphamide must be metabolized in a suitable way to develop the same alkylating activity as the nor-N-mustard. The computation of the excited states of cyclophosphamide revealed a similar term scheme as it was found by Clar in the case of the carcinogenic polycyclic hydrocarbons.
KW  - Cyclophosphamide
KW  - Cytostatic Agents
KW  - nor-N-mustard
KW  - Alkylating Agents
Y1  - 2014
UR  - http://publikationen.ub.uni-frankfurt.de/frontdoor/index/index/docId/71448
UR  - https://nbn-resolving.org/urn:nbn:de:hebis:30:3-714482
SN  - 0939-5075
SN  - 1865-7125
N1  - zugl. Frankfurt (Main), Univ., Fachbereich 14 - Chemie, Diss., 1980.
VL  - 34.1979
IS  - 9-10
SP  - 658
EP  - 669
PB  - Verlag der Zeitschrift für Naturforschung
CY  - Tübingen
ER  -