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Toxicological information

Genetic toxicity: in vitro

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Administrative data

Endpoint:
in vitro gene mutation study in bacteria
Type of information:
(Q)SAR
Adequacy of study:
key study
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 adequate and reliable documentation / justification

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2016
Report Date:
2016

Materials and methods

Test guideline
Qualifier:
no guideline available
Principles of method if other than guideline:
Times v.2.27.19.13 in QSAR Toolbox
Toolbox prediction report is attached in IUCLID.
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
- Purity: Not applicable
- Smiles: OC1C{P-}(O)C{P-}(O)C{P-}(O)C{P+}(O)C{P-}1O
Specific details on test material used for the study:
SMILES: OC1C{P-}(O)C{P-}(O)C{P-}(O)C{P+}(O)C{P-}1O

Results and discussion

Test results
Key result
Species / strain:
S. typhimurium, other:
Metabolic activation:
with
Genotoxicity:
negative
Remarks on result:
no mutagenic potential (based on QSAR/QSPR prediction)

Applicant's summary and conclusion

Conclusions:
Negative with metabolic activation
Executive summary:

The Times model for in vitro bacterial cell mutagenicity was used within the QSAR Toolbox. The prediction was negative with activation. Additional supporting documentation is provided in the prediction report attached in IUCLID.