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The pKa values for three acidic groups in the molecular structure of the substance were calculated to be 1.8, 14.7, and 0.8 using the Perrin calculation method (pKalc 5.0, module in Pallas 3.0, CompuDrug International, USA).
According to the Analytical report in Appendix 2. (See background material)
The chemical structures of peak nr 12 (5.36%) and peak nr. 18 (5.21%) were comparable to peak nr 6 and similar calculation results are expected.
The test item is a UVCB and the experimental determination of the dissociation constants (e.g. Titration method, Spectrophotometric method) was, therefore, not possible. The Perrin calculation method was applied.
The pKa values for three acidic groups in the test item were calculated to be 1.8, 14.7, and 0.8.
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