Registration Dossier

Administrative data

Endpoint:
acute toxicity: oral
Type of information:
(Q)SAR
Adequacy of study:
disregarded due to major methodological deficiencies
Reliability:
3 (not reliable)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, and documentation / justification is limited

Data source

Reference
Reference Type:
other: QSAR model
Title:
Oral rat LD50 - TEST

Materials and methods

Test guideline
Qualifier:
equivalent or similar to guideline
Guideline:
other: ECHA guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals.

Test material

Details on test material:
The SMILES included in the reference substance linked in Section 1 (General information) was used as model input.

Test animals

Species:
rat

Administration / exposure

Statistics:
The applicability domain of predictions is assessed considering:

- Similar molecules with known experimental value.
- Accuracy of prediction for similar molecules.
- Concordance for similar molecules.

Results and discussion

Effect levels
Key result
Sex:
not specified
Dose descriptor:
LD50
Effect level:
ca. 411 mg/kg bw
Remarks on result:
other: Result by Consensus method.

Any other information on results incl. tables

The result appears non-reliable as the predicted compound is outside the applicability domain of the model.

Applicant's summary and conclusion

Interpretation of results:
Category 4 based on GHS criteria
Conclusions:
The substance has a LD50 of ca. 411 mg/kg bw.