Registration Dossier
Registration Dossier
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EC number: 200-292-1 | CAS number: 56-85-9
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation: in vitro
- 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
- Justification for type of information:
- 1. SOFTWARE: QSAR Toolbox 4.5
2. MODEL (incl. version number): TPRF v4.5; Skin sensitisation II (ECETOC)
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL: N[C@H](CCC(N)=O)C(O)=O
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
- Predicted endpoint: Human Health Hazards -> Sensitisation -> Skin -> in Vivo -> LLNA -> EC3
- Unambiguous algorithm - OECD principle 2: takes the highest mode value from the 5 nearest neighbours
- Defined domain of applicability: REACH Skin sensitisation database (normalised)
- Appropriate measures of goodness-of-fit and robustness and predictivity: The prediction is based on 5 values, 5 of them (100%) equal to predicted value. Prediction confidence is measured by the pvalue: 0,0312
5. APPLICABILITY DOMAIN
target chemical is in domain; please see report attached
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 022
- Report date:
- 2022
Materials and methods
Test guideline
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- QSAR prediction
Calculation based on QSAR Toolbox 4.5. model: TPRF v4.5; Skin sensitisation II (ECETOC) - GLP compliance:
- no
Test material
- Reference substance name:
- Levoglutamide
- EC Number:
- 200-292-1
- EC Name:
- Levoglutamide
- Cas Number:
- 56-85-9
- Molecular formula:
- C5H10N2O3
- IUPAC Name:
- L-glutamine
Constituent 1
In vitro test system
- Details of test system:
- other: Data gap filling method: Read-across analysis, REACH Skin sensitisation database (normalised)
- Details on the study design:
- Profilers:
- No alert found (Protein binding alerts for skin sensitization by OASIS) (primary grouping)
Results and discussion
In vitro / in chemico
Results
- Key result
- Group:
- test chemical
- Run / experiment:
- other: Calculation approach
- Parameter:
- other: read-across prediction for EC3, skin sensitisation
- Remarks on result:
- no indication of skin sensitisation
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- QSAR predicts that skin sensitisation is negative for L-Glutamine.
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.
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