Registration Dossier
Registration Dossier
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EC number: 200-811-1 | CAS number: 74-79-3
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: NC(CCCNC(N)=N)C(O)=O
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
- Defined endpoint: Human Health Hazards -> Sensitisation -> Skin -> in Vivo -> GPMT -> Skin sensitisation
- Unambiguous algorithm: takes the highest mode value from the 1 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 1 values, 1 of them (100%) equal to predicted value. Prediction confidence is measured by the p-value: 0,5
5. APPLICABILITY DOMAIN: REACH Skin sensitisation database, please see report attached
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 022
- Report date:
- 2022
Materials and methods
- Principles of method if other than guideline:
- SAR/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:
- L-arginine
- IUPAC Name:
- L-arginine
- Reference substance name:
- Arginine
- EC Number:
- 200-811-1
- EC Name:
- Arginine
- Cas Number:
- 74-79-3
- Molecular formula:
- C6H14N4O2
- IUPAC Name:
- arginine
Constituent 1
Constituent 2
In vitro test system
- Details of test system:
- other: Data gap filling method: Read-across analysis, Automated workflow for EC3 from LLNA or Skin sensitisation from GPMT assays
Results and discussion
In vitro / in chemico
Results
- Group:
- test chemical
- Run / experiment:
- other: Calculation approach
- Parameter:
- other: read-across prediction for skin sensitisation
- Remarks on result:
- no indication of skin sensitisation
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Remarks:
- QSAR predicts that skin sensitisation is negative forL-Arginine.
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