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EC number: 608-209-4
CAS number: 284461-73-0
Within a study on the bioconcentration according to OECD 305 sorafenib tosylate (as analogue of the test substance) was tested in a flow-through fish test. The BCF was determined to be 5300 at a concentration of 0.32 µg/L after 22 d and >7300 at a concentration of 0.04 µg/L after 26 d (but no steady state was reached). These values are greater than the threshold for the vB criterion that is 5000 and show that the test substance has a high bioaccumulation potential.In addition, a QSAR derived bioaccumulation factor was calculated based on the logKow=3.3 of the test substance. The bioaccumulation factor of the test substance was calculated to be 69.9 L/kg (ww) using the BCFBAF model included in the EPI-Suite Program. According to this value the test substance has a low potential to bioaccumulate in biota. The findings from the OECD 305 study are rather surprising as these deviate significantly from the behavior expected from QSAR that is based on physico-chemical properties.QSAR applications reflect established relationships between molecular structures, physico-chemical properties, and biological activities of the test substance. However, bioconcentration of a substance is the result of lipid-water partitioning (Know) and other processes, e.g., metabolism and interactions with specific tissues. The QSAR can be adapted to include such processes to a certain degree. Nevertheless, BCF estimates from QSAR applications can differ from real BCF values when the test substance, e.g., accumulates in specific target tissues or body fluids, such as blood. Therefore, BCF values derived from the bioconcentration study (OECD 305) are used to assess the bioaccumulation potential and the test substance is assigned to be very bioaccumulative (vB).
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