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Eye irritation

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Administrative data

Endpoint:
eye irritation, other
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Study period:
2021
Reliability:
2 (reliable with restrictions)
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
Justification for type of information:
1. SOFTWARE: OECD Toolbox 4.4.1.
2. MODEL: Eye irritation/corrosion Exclusion rules by BfR - Scheme type Linear - Scheme nature: EndpointSpecific - Version: 2.0 - December 2016.
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL: NC(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL Developer: National Institute for Public Health and the Environment (RIVM), Netherlands Donator: National Institute for Public Health and the Environment (RIVM), Netherlands. The aim of this profiler is to classify chemicals with respect to its eye irritation or corrosion potential. Unlike most profilers, it determines compounds that do not exhibit an irritating / corrosive effect, namely those that are not characterized by below mentioned Risk Phrases according to Annex III of European Union Directive 67/548/EEC: Nature of special risks attributed to dangerous substances and preparations:
R34: Causes burns
R35: Causes severe burns
R36: Irritating to eyes (moderate eye irritation reversible within ≤ 21 days)
R41: Risk of serious damage to eyes (moderate but persistent eye lesions, eye corrosion)
Definition of structural classes for which separate skin irritation exclusion rules have been defined:
1. Class C - Structure contains only Carbon (C), hydrogen (H) and oxygen (O) atoms – Formula CxHyOz
2. Class CN - Structure contains only C, H, O and Nitrogen (N) atoms – Formula CxHyOzNa
3. Class CNHal - Structure contains only C, H, O, N and Halogen (Hal) atoms – Formula CxHyOzNaHalb
4. Class CNS - Structure contains only C, H, O, N and Sulphur (S) atoms – Formula CxHyOzNaSb
5. Class CHal - Structure contains only C, H, O and Hal – Formula CxHyOzHalb
Tsakovska I, Netzeva T, Worth A., (2005), Evaluation of (Q)SARs for the prediction of Eye Irritation/Corrosion Potential. Physico-chemical exclusion rules. Report for the European Chemicals Bureau, available at:
https://eurl-ecvam.jrc.ec.europa.eu/laboratories-research/predictive_toxicology/doc/Evaluation_of_Eye_Irritation_QSARs.pdf

5. APPLICABILITY DOMAIN The exclusion rules for eye irritation/corrosion are based on physico-chemical cut-off values to identify chemicals that do not exhibit eye irritation or corrosion potential. The parameters used for defining eye irritation rules are: Lipid Solubility, Octanol Water partition coefficient, Aqueous Solubility, Melting Point and Molecular Weight.

Data source

Reference
Reference Type:
other: QSAR Toolbox Software
Title:
Unnamed
Year:
2021
Report date:
2021

Materials and methods

Test guideline
Qualifier:
no guideline required

Test material

Specific details on test material used for the study:
NC(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O

Results and discussion

In vitro

Results
Irritation parameter:
other: (Q)SAR prediction
Remarks on result:
no indication of irritation

Applicant's summary and conclusion

Interpretation of results:
other: not irritating
Conclusions:
The structural and parametric boundaries used to define the chemical categories, in “Eye irritation/corrosion Exclusion rules by BfR” profiler, confirmed that the structure of LEVOTHYROXINE ACID do not exhibit an eye irritation or corrosion potential.
Executive summary:

According to the “Eye irritation/corrosion Exclusion rules by BfR” profiler, LEVOTHYROXINE ACID do not exhibit an eye irritation or corrosion potential.