AI limit for N-nitroso betahistine?

[Yosukemino]

Hi, all.
It is an interesting thread. To understand the topic deeply, I add the figure of N-nitroso betahistine.

When I searched for analogs on LCDB substructure search with the following figure, an appropriate surrogate was not found, except for NMPEA.

That is why I support @Diego_HM’s suggestion. If less than 10% of 8ng/day is confirmed, the betahistine will be free from nitrosamine confidently in most cases. It is a fantastic scenario!!

For other officially used surrogates, please see the following post.

Officially used surrogates for read-across method

I want to visualize surrogate compounds used for read-across by EMA. [image] NDEA NDEA applies to five compounds. NDEA is well-known and has sufficiently robust toxicological data. [image] NDMA NDMA applies only to NMBA, despite its robust toxicological data. [image] NTHP There are compounds for NDSRI from here. NTHP is used for two, NNV and N-nitroso sitagliptin. The double bond of NTHP is the key feature. [image] N-Nitrosopiperidine N-Nitrosopiperidine applies to NMPH. T…