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. 2014 Apr 22;2(3):e00044. doi: 10.1002/prp2.44

Table 3.

Assignment, proposed structures, and MS/MS characteristics of major metabolites identified following incubation of either human liver microsomal fractions (1 mg/mL final concentration; in the absence or presence of either 1 mmol/L NADPH or 3 mmol/L UDPGA), recombinant human isoforms (CYPs, FMOs, MAO, and UGTs) or human hepatocytes (pool of four preparations in the absence or presence of CYP and MAO inhibitors) with dronedarone and its metabolites (5 μmol/L final concentration)

Assignment Rt (min) Metabolite description Theoretical MH+ (m/z) Measured MH+ (m/z) ΔM ppm Elemental composition MH+ (m/z) Product ions (m/z)
M1 19.5 Hydroxy phenol-dronedarone glucuronide 580.14832 580.14879 0.806 C26H30NO12S+ 121, 386, 404
M2 20.0 C-dealkyl-dronedarone 308.22202 308.22217 0.486 C18H30NO3+ 114, 170, 252
M3 20.7 Hydroxy phenol-dronedarone glucuronide 580.14832 580.14836 0.065 C26H30NO12S+ 121, 386, 404
M4 22.6 Hydroxy N-debutyl-dronedarone 517.23668 517.23650 −0.356 C27H37NO6S+ 86, 114, 386
M5 23.3 Oxidized N-debutyl-dronedarone 515.22103 515.22180 1.487 C27H35N2O6S+ 86, 114, 308
M6 23.4 Dihydroxy-dronedarone 589.29420 589.29528 1.835 C31H45N2O7S+ 158, 186, 467
M7 23.8 Hydroxy N-debutyl-dronedarone 517.23668 517.23638 −0.588 C27H37N2O6S+ 86, 114, 294, 386
M8 25.2 Hydroxy phenol-dronedarone 404.11623 404.11663 0.979 C20H22NO6S+ 121
M9 25.7 Hydroxy, oxidized propanoic acid-dronedarone 490.11663 490.11684 0.432 C23H24NO9S+ 193
M10 25.8 Hydroxy propanoic acid-dronedarone 476.13736 476.13742 0.118 C23H26NO8S+ 193
M11 26.7 Hydroxy propanoic acid-dronedarone 476.13736 476.13727 −0.197 C23H26NO8S+ 193
M12 26.9 Hydroxy dronedarone 573.29928 573.29883 −0.792 C31H45N2O6S+ 114, 142, 170, 451, 517
M13 27.1 N,N′-Didebutyl dronedarone 445.17917 445.17947 0.676 C23H29N2O5S+ 58, 294, 388
M14 27.4 Hydroxy dronedarone 573.29928 573.29895 −0.583 C31H45N2O6S+ 114, 142, 170, 386, 451, 517
M15 27.6 O-dealkylation hydroxyl dronedarone 404.11623 404.11586 −0.927 C20H22NO6S+ 121, 292
M16 28.3 Hydroxy N-debutyl-dronedarone 517.23668 517.23676 0.108 C27H37N2O6S+ 102, 130, 294, 388
M17 29.1 Dihydroxy-dronedarone 589.29420 589.29326 1.593 C31H45N2O7S+ 174, 202, 294, 451
M18 29.2 Hydroxy phenol-dronedarone 404.11623 404.11639 0.385 C20H22NO6S+ 121, 292
M19 29.9 Phenol-dronedarone glucuronide 564.15341 564.15289 −0.918 C26H30NO11S+ 121, 294, 388
M20 30.2 Hydroxy propanoic acid-dronedarone 476.13736 476.13782 0.958 C23H26NO8S+ 193, 292, 458
M21 31.4 N-debutyl-dronedarone 501.24177 501.24172 −0.099 C27H37N2O5S+ 86, 114, 294, 388
M22 32.4 Hydroxy dronedarone 573.29928 573.29924 −0.077 C31H45N2O6S+ 158, 186, 294, 451
M23 32.8 Deaminated N,N′-didebutyl dronedarone glucuronide 622.19527 622.19434 −1.499 C29H36NO12S+ 294, 446
PD 36.3 Dronedarone 557.30437 557.30437 0.001 C31H45N2O5S+ 114, 142, 170, 294, 435, 501
M24 38.5 Phenol-dronedarone 388.12132 388.12152 0.515 C20H22NO5S+ 121, 294
M25 39.1 Propanoic acid-dronedarone 460.14245 460.14296 1.110 C23H26NO7S+ 193, 294
M26 39.5 Deaminated N,N′-didebutyl dronedarone 446.16318 446.16387 1.536 C23H28NO6S+ 121, 179, 294

HRMS, high-resolution mass spectrometry; Assignment, assignment; Rt, retention time; PD, parent drug.