Process Chemistry & Regulatory Screening
The questions that stop filings and trigger recalls, answered from the structure, the route and the data you already have: what can this molecule degrade into, could this process make a nitrosamine, does the spectrum match the structure, and is this step safe to scale. Every number carries its method, version and error band. Every paid pack is reviewed by a chemist.
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.
From $499 · free first sample · details →
RouteGuard
Where in this process does an amine meet a nitrosating agent, and what forms?
A route-derived nitrosamine screen. Valsartan has no nitrosatable nitrogen and was still recalled worldwide, because the nitrosamine formed in the process. RouteGuard reads your route step by step and tells you where an amine source meets a nitrosating agent, under what conditions, and whether formation happens after your last purification.
From $399 · free first sample · details →
NMRVerify
Does the observed NMR and HRMS data actually match the proposed structure?
Checks candidate structures against one observed data set: 1H assignment and integration, exact mass and isotope pattern, and, when you add the 13C peak list, predicted-versus-observed 13C shifts with measured bands. With 1H alone the answer is a consistency check. Telling one isomer from another needs the 13C data, and even then a preferred isomer is named only when one candidate leads clearly.
From $89 · free first sample · details →
SafeScale
How energetic is this step, and how much protection does it need?
A thermal hazard pack built from calorimetry you already have. Your DSC or ARC runs are usually sitting unreduced in a QC folder; SafeScale turns them into the numbers a process safety committee needs, with the method named for each one.
From $649 · details →
Nitrosamine Complete: $799
Structure-derived and process-derived nitrosamine risk, covered together: the Impurity & Nitrosamine Risk Pack on your final API plus a RouteGuard screen of its synthesis, in one reviewed delivery. The valsartan lesson in one order.
What we don't claim
These are computational screens. Predicted impurities, nitrosamines and degradants are hypotheses to test, not findings. We do not set limits, assign CPCA categories, size reliefs or sign off process safety, and spectroscopic consistency is not proof of structure. A non-match is not a clearance.
Frequently asked
How is this related to the patent services?
Same engine family, same rules: every value carries its method and error band, and every report separates what is computed from what needs review. The patent services tell you what is protected; these tell you what your molecule and your process can turn into.
Is a chemist involved?
Yes. The free samples are automated. Every paid pack is reviewed by a chemist before delivery, and anything the engine marks as needing review is read, not just flagged.
Do you make regulatory determinations?
No. We do not assign CPCA categories, acceptable intakes, specification limits or process-safety clearance. We give your team a defensible, traceable screen to make those decisions with.
Is my data confidential?
Yes. Structures, routes, spectra and calorimetry are used only to produce your report. Nothing is published, and we never name clients.