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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Toxicological information

Skin sensitisation

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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: [Cl-].NC(=N)NCCCC([NH3+])C(O)=O
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
- Defined endpoint: Human Health Hazards -> Sensitisation -> Skin -> in Vivo -> GPMT LLNA -> EC3 Skin sensitisation
- Unambiguous algorithm: 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 p-value: 0,0312.

5. APPLICABILITY DOMAIN: REACH Skin sensitisation database, please see report attached

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2022
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

Constituent 1
Chemical structure
Reference substance name:
(+)-L-arginine hydrochloride
EC Number:
214-275-1
EC Name:
(+)-L-arginine hydrochloride
Cas Number:
1119-34-2
Molecular formula:
C6H14N4O2.ClH
IUPAC Name:
(2S)-2-amino-5-carbamimidamidopentanoic acid hydrochloride

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
Conclusions:
QSAR predicts that skin sensitisation is negative for L-Arginine-HCl.