1H-Isoindole-1,3(2H)-dione, 2-[(6,11-dihydro-5H-dibenz[b,e]azepin-6-yl)methyl]-

Acute Toxicity: oral

Administrative data

Endpoint:

acute toxicity: oral

Type of information:

(Q)SAR

Adequacy of study:

other information

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification

Justification for type of information:

The reliability assessment of the prediction is shown in the attached document (QPRF).

Data source

Reference

Reference Type:

other: QSAR model

Title:

VEGA in silico platform

Bibliographic source:

Acute Toxicity (LD50) model (KNN) - v.1.0.0

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

Test material information

Details on test material:

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

Specific details on test material used for the study:

C1C2=CC=CC=C2C(NC3=CC=CC=C31)CN4C(=O)C5=CC=CC=C5C4=O

Results and discussion

Effect levels

Dose descriptor:

LD50

Effect level:

ca. 1 689.28 other: mg/kg

Any other information on results incl. tables

The prediction was deemed to be reliable with restrictions on the basis of the parameters listed above. The molecule might fall into the applicability domain of the model.

Applicant's summary and conclusion

Interpretation of results:

study cannot be used for classification

Conclusions:

The acute oral LD50 of the substance was predicted to be 1689.28 mg/kg; however, the reliability of that prediction shows strong restrictions.