Registration Dossier

Administrative data

Endpoint:
skin sensitisation: in vivo (LLNA)
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
results derived from a (Q)SAR model, with limited documentation / justification
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
Type of study:
mouse local lymph node assay (LLNA)

Test material

Constituent 1
Chemical structure
Reference substance name:
(±)-1-Benzyl-4-(4-fluoro-phenyl)-3-hydroxymethyl-1,2,3,6-tetrahydro-pyridine, salt with benzenesulfonic acid
EC Number:
606-458-3
Cas Number:
201855-55-2
Molecular formula:
C19H20FNO C7H8O3S
IUPAC Name:
(±)-1-Benzyl-4-(4-fluoro-phenyl)-3-hydroxymethyl-1,2,3,6-tetrahydro-pyridine, salt with benzenesulfonic acid
Test material form:
solid: crystalline

Results and discussion

In vivo (LLNA)

Results
Parameter:
EC3
Value:
7.31
Remarks on result:
other: Database: Skin sensitisation

Applicant's summary and conclusion

Interpretation of results:
Category 1B (indication of skin sensitising potential) based on GHS criteria
Conclusions:
According to (Q)SAR modell: QSAR Toolbox, the predicted value indicated that raceme hydroxy-methyl-tetrahydropyridine-tosilate is sensitiser. The result meets the requirement of Hazard Category 1B.