TABLE 5.
Metabolite identification of WEB-485 (compound 2) from incubation in rat microsomes
| Predicted metabolite description | ΔMassa (Da) | MH+b | tR (min)c | % of total metabolite peak aread |
|---|---|---|---|---|
| WEB-485 (parent) | 415 | 2.15 | ||
| Dealkylation | −128 | 287 | 3.15 | 16 |
| Mono-oxygenation | +16 | 431 | 2.18 | 24 |
| N-demethylation | −14 | 401 | 2.14 | 60 |
a
ΔMass, change in mass from the parent ion.
b
MH+, mass detected by positive electrospray ionization.
c
tR, LC retention time of compound or metabolite detected.
d
Metabolite peak area profiles were calculated by assuming comparable response factors for each component; however, authentic standards would be required for confirmation.