Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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