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Toxicological information

Skin sensitisation

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Administrative data

Endpoint:
skin sensitisation, other
Remarks:
skin sensitisation in vivo (LLNA) (From QSAR prediction)
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2018
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
Title:
Prediction of EC3 in mouse model for copper di-d-gluconate
Year:
2018
Bibliographic source:
Modelo QSAR 180409 Sensitisation LLNA E3 Gluconato
Report date:
2018

Materials and methods

Test guideline
Guideline:
other: REACH Guidance on QSARs R.6

Test material

Constituent 1
Chemical structure
Reference substance name:
Copper di-D-gluconate
EC Number:
208-408-2
EC Name:
Copper di-D-gluconate
Cas Number:
527-09-3
Molecular formula:
C12H22CuO14
IUPAC Name:
copper(2+) bis(2,3,4,5,6-pentahydroxyhexanoate)
Test material form:
solid
Specific details on test material used for the study:
SMILES: OCC{P-}(O)C{P-}(O)C{P+}(O)C{P-}(O)C(=O)O{-}.[Cu]{+}

Results and discussion

In vivo (LLNA)

Results
Key result
Parameter:
EC3
Value:
5.08

Applicant's summary and conclusion

Interpretation of results:
Category 1B (indication of skin sensitising potential) based on GHS criteria
Conclusions:
Toxicity of the target chemical (5.08 %) is predicted by QSAR "Modelo QSAR 180409 Sensitisation LLNA E3 Gluconato".
In conclusion, EC3 value > 2 %; based on GHS criteria the substance has skin sensitising potential (Skin Sens 1B).