Aripiprazole

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Aripiprazole stable oxygenation prediction

Aripiprazole unstable oxygenation prediction

Aripiprazole dehydrogenation prediction

Aripiprazole reduction prediction

Aripiprazole hydrolysis prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

O=CCCCOc1ccc2c(c1)NC(=O)CC2 Quinonation prediction

Generation 2

quinone formation · 0.04

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

O=C1C=CC2=CCC(=O)NC2=C1