Visualization of Categorized Compounds by CPCA

kaviraj · September 14, 2023, 1:48pm

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.

Yosukemino · September 14, 2023, 2:58pm

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.

kaviraj · September 15, 2023, 4:34am

Thanks for the quick reply.

rimita.c · September 19, 2023, 9:53am

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.

Yosukemino · September 19, 2023, 4:44pm

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.