Registration Dossier
Registration Dossier
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EC number: 245-396-8 | CAS number: 23047-25-8
Endpoint summary
Administrative data
Key value for chemical safety assessment
Effects on developmental toxicity
Description of key information
The subsance is included in the training set of the QSAR - PG model as toxic to development. Moreover the substance is predicted as toxic by QSAR - Caesar model. The result appears as reliable, since as the predicted compound is into the applicability domain of the model.
Link to relevant study records
- Endpoint:
- developmental toxicity
- Type of information:
- experimental study
- Adequacy of study:
- other information
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- secondary literature
- Qualifier:
- according to guideline
- Guideline:
- other: ECHA guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals.
- Details on embryotoxic / teratogenic effects:
- Toxic to development.
- Conclusions:
- Experimental value is Toxicant.
- Endpoint:
- developmental toxicity
- 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
- 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.
- Statistics:
- The applicability domain of predictions is assessed using an Applicability Domain Index (ADI) that has values from 0 (worst case) to 1 (best case). The ADI is calculated by grouping several other indices, each one taking into account a particular issue of the applicability domain. Most of the indices are based on the calculation of the most similar compounds found in the training and test set of the model, calculated by a similarity index that consider molecule's fingerprint and structural aspects (count of atoms, rings and relevant fragments).
For each index, including the final ADI, three intervals for its values are defined, such that the first interval corresponds to a positive evaluation, the second one corresponds to a suspicious evaluation and the last one corresponds to a negative evaluation.
List of indices:
- Similar molecules with known experimental value.
- Accuracy of prediction for similar molecules.
- Concordance for similar molecules.
- Atom Centered Fragments similarity check.
- Model descriptors range check.
- Global AD Index. - Details on embryotoxic / teratogenic effects:
- Non-toxic to development.
- Conclusions:
- The substance is predicted to be toxic to development.
Referenceopen allclose all
The subsance is included in the training set of the QSAR - PG model as toxic to development
Justification for classification or non-classification
The substance is included in the training set of the QSAR- PG model as toxic for development.
Moreover, the substance is predicted as toxic by QSAR-Caesar model. The result appears as reliable, since the predicted compound is into the applicability domain of the model.
Overall, data available are judged as inconclusive for classification.
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
