In vitro conjugation reactions of laromustine and VNP4090CE

Reproduced by permission from Nassar et al., Chem. Res. Toxicol., 2011 (Nassar et al., 2011).

No.Proposed StructureMW (amu)RTa (min)H-DbN-rulecRDBEd
M-1Embedded Image227.3229.317.533OddOdd11
M-2Embedded Image178.2178.220.244No or EvenEven22
M-3Embedded Image413.5415.527.666OddOdd44
M-4Embedded Image364.4364.427.877No or EvenEven55
M-5Embedded Image441.5443.533.477OddOdd55
M-6Embedded Image220.3220.337.733No or EvenEven33
M-7Embedded Image269.3271.343.022OddOdd22
M-8Embedded Image297.4299.446.533OddOdd33
  • MW, molecular weight.

  • a Approximate retention time on LC-MS.

  • b The number of labile protons on the molecule; the protonating species in the H-D experiments is D and not H.

  • c If a compound has an odd mass it has an N atom in its structure, and contains an odd number of N atoms (1, 3, 5 etc.). If a compound has an even mass, it has either no N or an even number of N atoms in its structure (0, 2, 4 etc.); the nitrogen rule only applies to unprotonated, intact molecules.

  • d RDBE, sulfone oxygen atoms (i.e., those double-bonded to sulfur) do not count toward rings and double bonds, 13C=[chloroethyl-1,2].