TABLE 5
Key NMR data for metabolites M20 (4-OH), M24 (7-OH), and dasatinib
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| Position | M20 (4-OH) | M24 (7-OH) | Dasatinib | |||||||
| 1H ppm (mult, J = Hz) | 13C ppm | HMBC (1H-13C correlation) | 1H ppm (mult, J = Hz) | 1H ppm (mult, J = Hz) | ||||||
| 1 | N.A. | 125 | N.A. | N.A. | N.A. | |||||
| 2 | N.A. | 133 | N.A. | N.A. | N.A. | |||||
| 3 | 6.77 (d, J = 2.65) | 113.8 | C1, C2, C4, C5 | 7.56 (d, J = 8.0) | 7.41 (d, J = 7.5) | |||||
| 4 | N.A. | 157 | N.A. | 7.46 (t, J = 8.0) | 7.27 (t, J = 7.5) | |||||
| 5 | 6.67 (d, J = 2.65) | 116.3 | C1, C3, C4 | 7.53 (d, J = 8.0) | 7.30 (d, J = 7.5) | |||||
| 6 | N.A. | 139 | N.A. | N.A. | N.A. | |||||
| 7 | 2.14 (s) | 18.8 | C1, C5, C6 | 4.54 (s) | 2.25 (s) | |||||
-
N.A., not applicable