Impurity & Nitrosamine Risk Pack
What can this molecule degrade into, and which of those is a liability?
A computational screen of a small molecule for the two things that stop filings and trigger recalls: degradation impurities and nitrosamine (NDSRI) liability. Produced from the structure alone, no sample needed, and every number carries its method, version and error band.
A structure: drug name, SMILES or InChI.
What could this molecule degrade into, which of those is a liability, and what should we stress-test first?
Free automated sample
Run one structure free and get the headline nitrosamine index, top structural alerts and a 2-page sample pack.
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Sample screens on public drug structures
What the engine reports for real marketed drugs (structures from PubChem), as published on our Process Chemistry showcase. Computational screens, not regulatory determinations or statements about any manufacturer's product.
Reviewed packs
Impurity & Nitrosamine Risk Pack
24-48 hours
- ✓Nitrosamine (NDSRI) formation potential, with the predicted N-nitroso structure drawn
- ✓Ranked degradation-impurity candidates, each traced to a named rule and stress condition
- ✓Structural alert table and a prioritised stress-testing plan
- ✓HTML + Word report, reviewed by a chemist before you see it
Portfolio Impurity Screen
3-5 days
- ✓Ranked nitrosamine and degradant risk table across up to 50 structures
- ✓Full reviewed Risk Packs on the 5 highest-risk structures
- ✓Excel workbook with the method manifest
Nitrosamine Complete
3-4 days
- ✓Impurity & Nitrosamine Risk Pack on the final API (structure-derived risk)
- ✓RouteGuard Route Screen on its synthesis (process-derived risk)
- ✓Structure and process covered together, in one reviewed delivery
Pay by card or PayPal, or UPI and Indian cards via Razorpay. Need volume pricing or a white-label arrangement for your own clients? Email support@thechemsolver.com.
What is not included
- ·No acceptable intakes, CPCA category assignment or specification limits
- ·No quantitative ppm prediction: the engine ranks and prioritises, it does not predict levels
- ·No replacement for ICH Q1A stress studies; every predicted impurity is a hypothesis to test
Frequently asked
Does a low nitrosamine index mean my molecule is clear?
No. A non-match is not a clearance. The structural screen covers nitrosamines that can form from the molecule itself; nitrosamines formed in the process (the valsartan case) need a route screen, which is what RouteGuard is for.
Do you assign CPCA categories or acceptable intakes?
No. We list the CPCA-relevant structural features for each predicted N-nitroso structure, but category assignment and limits are a regulatory determination that stays with you and your regulatory team.