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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:
1-(3-chlorophenyl)-4-(3-chloropropyl)piperazinium chloride
EC Number:
258-038-0
EC Name:
1-(3-chlorophenyl)-4-(3-chloropropyl)piperazinium chloride
Cas Number:
52605-52-4
Molecular formula:
C13H18Cl2N2.ClH
IUPAC Name:
1-(3-chlorophenyl)-4-(3-chloropropyl)piperazin-1-ium chloride

Results and discussion

In vitro / in chemico

Results
Parameter:
other: sensitisation
Remarks on result:
positive indication of skin sensitisation

Any other information on results incl. tables

DEREK evaluation showed an alert for skin sensitization.

Applicant's summary and conclusion

Interpretation of results:
other: alert
Conclusions:
Derek evaluation for the test item showed an alerts. Skin sensitisation in mammals (including humans) is plausible.