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Carcinogenicity

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Description of key information

The substance was prediceted to be NON- carcinogen. 

Key value for chemical safety assessment

Carcinogenicity: via oral route

Link to relevant study records

Referenceopen allclose all

Endpoint:
carcinogenicity: 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 (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
Justification for type of information:
The reliability assessment of the prediction is shown in the attached document (QPRF). QSAR model reporting format is shown in the QMRF file attached.
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.
Specific details on test material used for the study:
CC1=C(C(=O)O[C@@]1(C)C(F)(F)F)C2=C(C(=C(C=C2)F)F)OC
Remarks on result:
other: The substance is predicted to be NON-Carcinogen

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

Conclusions:
The substace is predicted to be NON-Carcinogen.
Endpoint:
carcinogenicity: 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 (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
Justification for type of information:
Documentation about the justification is provided in attachment (See Supporting information). The reliability assessment of the prediction is shown in the attached document as well (QPRF). QSAR model reporting format is shown in the QMRF file attached.
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.
Specific details on test material used for the study:
CC1=C(C(=O)O[C@@]1(C)C(F)(F)F)C2=C(C(=C(C=C2)F)F)OC
Remarks on result:
other: The substance was predicted to be carcinogen, but the result shows some critical aspects, which require to be checked

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

Conclusions:
The molecule was predicted to be carcinogen, but the result shows some critical aspects, which require to be checked:
- Only moderately similar compounds with known experimental value in the training set have been found
- some similar molecules found in the training set have experimental values that disagree with the predicted value
The following relevant fragments have been found: Carcinogenicity alert no. 38
Endpoint conclusion
Endpoint conclusion:
no adverse effect observed

Carcinogenicity: via inhalation route

Link to relevant study records
Reference
Endpoint:
carcinogenicity: inhalation
Type of information:
(Q)SAR
Adequacy of study:
other information
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
Justification for type of information:
The reliability assessment of the prediction is shown in the attached document (QPRF). QSAR model reporting format is shown in the QMRF file attached.
Qualifier:
equivalent or similar to guideline
Guideline:
other:
Version / remarks:
ECHA guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals.
Specific details on test material used for the study:
CC1=C(C(=O)O[C@@]1(C)C(F)(F)F)C2=C(C(=C(C=C2)F)F)OC
Remarks on result:
other: The substance was predicted to be NON-Carcinogen

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

Conclusions:
The substance was predicted to be NON-Carcinogen.
Endpoint conclusion
Endpoint conclusion:
no adverse effect observed

Carcinogenicity: via dermal route

Endpoint conclusion
Endpoint conclusion:
no study available

Justification for classification or non-classification

Carcinogenicity for oral route and inhaltion route were predicated by QSAR-SFO-CLASS and QSAR- SFI-CLASS. 


The substance was prediceted to be NON- carcinogen. 


The QSAR-IRMN-ISSCAN-CGX model was also used to predict the carcinogenicity for oral route. In this case a positive results was observed. Nevertheless, considering the discrepancy between reults of QSAR-SFO-CLASS and QSAR-IRMN-ISSCAN-CGX is possible to conclude that the prediction for this endpoint is inconclusive and, the substance VRT-1097043 is considered as NON- carcinogen. 

Additional information