Diltiazem: nitrosamine formation-potential index 45/100 (moderate), 5 structural alerts, 7 predicted degradants

Impurity & Nitrosamine Risk screen of Diltiazem (structure from PubChem CID 39186). The engine finds 1 nitrosation site(s) and predicts these N-nitroso structures: N-nitroso-desmethyl-diltiazem. Structural alerts: 5. Predicted degradants under stress conditions: 7, 3 introducing a new liability. Computational screen of the public structure. Not a regulatory determination, not a finding about any manufacturer's product, no acceptable intakes or CPCA categories assigned.

How the engine decided

Run a nitrite-spiked forced-degradation study (drug substance and, if relevant, the formulated product) and develop a nitrosamine-specific method (LC-MS/MS with a nitrosamine reference standard).
Audit the route and the excipient/solvent list for nitrosating agents (nitrite salts, nitrous acid, nitro solvents, amines, recycled solvents, water sources).

Confidence: auto-verified: this result did not require human review before publishing.

What we do

Need this run on your own compound?

This is one of many patents we screen daily. If you have a specific compound or patent you need checked, we'll run a free sample report on it.