Visualization of Categorized Compounds by CPCA

Good evening @Yosukemino,
Thanks for your valuable information.
I couldn’t find the N-Nitroso Chlorpromazine limit in the list, Is it possible to post the limit, In calculation it is coming as 100 ng/day AI.

Hi, @kaviraj,

FDA categorizes N-nitroso-desmethyl-chlorpromazine as Category 1 (AI=26.5ng/day).

α-Hydrogen Score(2,3)= +1. And other features are not available. Category 1 looks reasonable.

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Thanks for the quick reply.

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Thanks for the post. It’s really very helpful.
Can anyone share the structure of the NDSRI that can be formed from Balsalazide and what could be the probable AI? Due to the presence of secondary amine, there is a possibility that NDSRI can be formed but the structure of the probable NDSRI is not reported anywhere.
Thanks in advance.

Hi, @rimita.c,

I could not find the impurity of Balzamide which has secondary amine. If you share the structure of impurity, I may be able to calculate AI with CPCA.

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