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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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 sensitisation
Remarks:
other: In silico prediction
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
June, 2010
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2010
Report date:
2010

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
In silico prediction using DEREK.
GLP compliance:
not specified
Type of study:
other: Derek evaluation

Test material

Constituent 1
Chemical structure
Reference substance name:
Trazodone
EC Number:
243-317-1
EC Name:
Trazodone
Cas Number:
19794-93-5
Molecular formula:
C19H22ClN5O
IUPAC Name:
2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

Results and discussion

Any other information on results incl. tables

DEREK evaluation showed alert for skin sensitization.

Applicant's summary and conclusion

Interpretation of results:
other: alert
Remarks:
Criteria used for interpretation of results: expert judgment
Conclusions:
Derek evaluation for the test item showed alerts for skin sensitisation.
Executive summary:

The alert also includes coverage for hydrazone precursors of hydrazines.

The presence of a skin sensitisation structural alert within a molecule indicates the molecule has the potential to cause skin sensitisation.

Whether or not the molecule will be a skin sensitiser will also depend upon its percutaneos absorption.

Generally, small lipophilic molecules are more readily absorbed into the skin and are therefore more likely to cause sensitisation.