Isolation and characterization of thermal degradation impurity in brimonidine tartrate by HPLC, LC-MS/MS, and 2DNMR was written by Baksam, Vijayakumar;Nimmakayala, Saritha;Devineni, Subba Rao;Muchumarri, Rama Mohan R.;Shandilya, Sanjeev;Kumar, Pramod. And the article was included in Journal of Pharmaceutical and Biomedical Analysis in 2021.Computed Properties of C15H16BrN5O6 This article mentions the following:
One potential unknown impurity was detected during the anal. of stability batches of brimonidine tartrate (BMT) in the level ranging from 0.03% to 0.06% by high-performance liquid chromatog. (HPLC). Based on the liquid chromatog.-mass spectrophotometry (LC-MS) anal., the unknown impurity structure was presumed as 3,6,11,13,16-pentaazatetracyclo [8.6.0.02,7.012,16] hexadeca-1,3,5,7,9,12-hexaene. The proposed structure was elucidated, after its isolation using preparative liquid chromatog. from the impurity enriched reaction crude sample, using anal. applications such as 1D NMR (1H, 13C and DEPT-135), 2D NMR (HMBC and COSY), high-resolution mass spectrometry (HRMS) and IR spectroscopy (IR). The unknown impurity was prepared from brimonidine by following Ullman coupling reaction in the presence of CuBr2 in gram scale with optimum purity to use further in anal. developments. The identification, structural elucidation and synthesis of unknown degradation impurity such as BMT-cyclized impurity, and HPLC method validation were reported for the first time in this paper. In the experiment, the researchers used many compounds, for example, 5-Bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine (2R,3R)-2,3-dihydroxysuccinate (cas: 70359-46-5Computed Properties of C15H16BrN5O6).
5-Bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine (2R,3R)-2,3-dihydroxysuccinate (cas: 70359-46-5) belongs to quinoxaline derivatives. Compounds possessing quinoxaline derivatives were bestowed with a variety of significant biological properties such as antiviral, antimalarial, anticancer, DNA intercalation, DNA duplex stabilization, and many others. The parent substance of the group, quinoxaline, results when glyoxal is condensed with 1,2-diaminobenzene. Substituted derivatives arise when α-ketonic acids, α-chlorketones, α-aldehyde alcohols and α-ketone alcohols are used in place of diketones.Computed Properties of C15H16BrN5O6
Referemce:
Quinoxaline – Wikipedia,
Quinoxaline | C8H6N2 | ChemSpider