Registration Dossier

Administrative data

Endpoint:
skin irritation / corrosion, other
Remarks:
In silico
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
guideline study with acceptable restrictions
Justification for type of information:
QSAR prediction

Data source

Reference
Reference Type:
other: Predicted data
Title:
Unnamed
Year:
2015

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: REACH guidance on QSARs R.6, May/July2008
GLP compliance:
not specified

Test material

1
Chemical structure
Reference substance name:
(-)-1-Benzyl-4-(-4-fluor-phenyl)-3-hydroxymethyl-1,2,3,6-tetrahydropyridine-L-dibenzoyl-tartaric salt
EC Number:
606-459-9
Cas Number:
201855-57-4
Molecular formula:
C37H34FNO9
IUPAC Name:
(-)-1-Benzyl-4-(-4-fluor-phenyl)-3-hydroxymethyl-1,2,3,6-tetrahydropyridine-L-dibenzoyl-tartaric salt
Test material form:
solid: crystalline

Results and discussion

In vivo

Results
Irritation parameter:
other: Primary Irritation Index
Score:
2.99
Remarks on result:
other: Database: Skin irritation

Applicant's summary and conclusion

Interpretation of results:
Category 2 (irritant) based on GHS criteria
Conclusions:
According to (Q)SAR modell: QSAR Toolbox, the predicted value indicated that (-)-hydroxymethyl-tetrahydropiridine-L-dibenzoyl-tartarate is irritating to skin. The result meets the requirement of Hazard Category 2.