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Diss Factsheets

Administrative data

Endpoint:
skin irritation: in vivo
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

Referenceopen allclose all

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

Constituent 1
Chemical structure
Reference substance name:
(-)-3R,4R-1-Benzyl-4-(4-fluorophenyl)-3-hydroxymethyl-piperide-L-dibenzoyl tartrate
EC Number:
606-460-4
Cas Number:
201855-65-4
Molecular formula:
C19H22FNO + C18H14O8 = C37H36FNO9
IUPAC Name:
(-)-3R,4R-1-Benzyl-4-(4-fluorophenyl)-3-hydroxymethyl-piperide-L-dibenzoyl tartrate
Test material form:
solid: particulate/powder

Results and discussion

In vivo

Results
Remarks on result:
no indication of irritation
Remarks:
QSAR prediction

Any other information on results incl. tables

Software Method Alert Predicted value
ChemProp Skin irritation and corrosion No Structural Alerts were found. Save
Toxtree Skin irritation / skin corrosion No Structural Alerts were found. Not Corrosive to skin

Applicant's summary and conclusion

Interpretation of results:
GHS criteria not met
Conclusions:
According to (Q)SAR modells: Toxtree, ChemProp, the predicted values indicated that cis-HPD-tartarate is sensitiser. The result meets the requirement of No Hazard Category.