Tooth whitening, as an important means of oral aesthetic restoration, has made significant progress in its drug application technology in recent years. This article provides a systematic review of the classification, mechanism of action, clinical application plans, safety evaluation, and development trends of new formulations of teeth whitening drugs. The focus is on analyzing the concentration optimization, innovative administration methods, and combination therapy strategies of core drugs such as hydrogen peroxide and urea peroxide. The impact of factors such as pH value and fluoride content on drug efficacy and dental tissue safety is explored, and the application prospects of new delivery systems such as polymer carriers are summarized. Research has shown that low concentration long-acting dosing regimens have advantages in balancing whitening effects and safety. Multi component synergistic formulations and targeted delivery technologies are expected to become the core research direction in the future, providing reference for the development of personalized whitening plans in clinical practice.