Table 3 In vivo phase I MST metabolites
[M + H]+ | PI | RT (min) | In vivo phase I metabolic reaction | |
|---|---|---|---|---|
MST | 499 | 399 | 24.9 | |
M1 | 485 | 399 | 27.9 | N-demethylation |
M2 | 501 | 401 | 26.6 | Carbonyl group reduction |
M3 | 501 | 400.2, 367.3 | 24.4 | N-demethylation and Hydroxylation of pyridine ring |
M4 | 501 | 482.9, 399.3 | 26.5 | N-demethylation and Hydroxylation of N-methyl piperazine |
M5 | 529 | 511, 429 | 25.1 | Benzyl oxidation to carboxylic acid |
M6 | 529 | 486, 400 | 26.9 | Pyridine ring hydroxylation and N-methyl piperazine oxidation |
M7 | 529 | 511,482 399, 247 | 29.6 | Oxidation and Hydroxylation of N-methyl piperazine |
MO1 | 515 | 497.2, 415, 396.8 | 21.7 | N-oxide formation |
MO2 | 515 | 497.2, 396.9 | 22.2 | Benzylic hydroxylation |
MO3 | 515 | 497.0, 400.1 | 23.0 | Pyridine ring hydroxylation |
MO4 | 515 | 497, 399, 415, 217 | 23.1 | Pyridine ring N-oxidation |
MO5 | 515 | 497, 399, 415, 217 | 24.0 | N-oxidation |
MO6 | 515 | 428, 415, 400, 381.3, 98.1, | 28.0 | Piperazine ring N-oxidation |
M8 | 531 | 488, 402, 123 | 26.7 | Pyridine ring hydroxylation and piperazine ring hydroxylation |
M9 | 531 | 415, 381, 123 | 27.3 | Piperazine ring hydroxylation and benzyl hydroxylation |
M10 | 531 | 501, 401 | 29.3 | Oxidative cleavage of N-methyl piperazine ring to carboxylic acid |
M11 | 547 | 511 | 30.7 | N-oxide formation of pyridine and piperazine ring and Benzylic hydroxylation [27] |
MA1 | 431 | 255 | 10.2 | Oxidative deamination |
MA2 | 447 | 271 | 13.2 | Phenyl hydroxylation and oxidative deamination |
MA3 | 447 | 285, 271, 164, 111 | 14.5 | Benzyl hydroxylation and oxidative deamination |