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Administrative data

Link to relevant study record(s)

Description of key information

Experimental data on absorption, distribution, metabolism and excretion (ADME) are not available for ACCUTRACE S10 (Marker 22). The ADME potential of ACCUTRACES10 in human was evaluated with the QSAR programs ADMET predictor and Gastro Plus (v8.5, Simulations Plus Inc, Lancaster, CA, USA), and EPI Suite (version 4.1., EPA, USA). For comparison, the ADME of Marker 20 (an analog of Marker 22) was also assessed.

The predicted fractional absorption (Fa%) values for Marker 22 and Marker 20 in humans exposed via the oral route are quite low, at 0.08% and 0.19%, respectively. The predicted Fa% values of single inhalation exposure to Marker 22 and Marker 20 are 4.30% and 6.7%, respectively. CYP based metabolism is predicted for Marker 22 and Marker 20 with the systemic bioavailability (F%) following oral absorption predicted to be 0.01% and 0.07% , respectively. Similarly, the F% values for a single inhalation exposure to Marker 22 and Marker 20 are predicted as 0.52% and 1.6%, respectively. The dermal permeability coefficient (Kp), the dermally absorbed dose per event (DAevent), and Dermal Absorbed Dose (DAD) for Marker 22 were predicted as 1.47x103 cm/hr, 4.23x10-8 mg/cm²-event (duration 490 hr, time to reach steady state 104 hr), 4.47x10-6 mg/kg-day (70 kg adult, water contact), respectively. Similarly, Kp, DAevent, and DAD for Marker 20 are predicted to be 94.8 cm/hr, 1.25x10-7 mg/cm²-event (duration 419 hr, time to reach steady state 89 hr), 1.32x10-5 mg/kg-day (70 kg adult, water contact), respectively. The predicted human plasma protein binding upon absorption values for Marker 22 and Marker 20 are 99.1% and 99.0%, respectively. The predicted Volume of tissue Distribution (Vd) for Marker 22 and Marker 20 in humans is 2.52 L/kg and 2.11 L/kg, respectively. According to the ADMET predictor, both Marker 22 and Marker 20 will be metabolized to the hydroxylated Marker 22 or Marker 20 (by CYP 3A4). These CYP-based metabolites are expected to be further metabolized to more water soluble conjugates (such as glucuronides by glucuronidation). The conjugates will be mainly excreted into urine and feces.

Key value for chemical safety assessment

Bioaccumulation potential:
no bioaccumulation potential
Absorption rate - oral (%):
0.1
Absorption rate - dermal (%):
0.1
Absorption rate - inhalation (%):
0.5

Additional information