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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

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.