Registration Dossier
Registration Dossier
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EC number: 700-683-1 | CAS number: 853950-77-3
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation
- Remarks:
- other: Structure-activity relationship assessed in silico ((Q)SAR model)
- Type of information:
- (Q)SAR
- Adequacy of study:
- disregarded due to major methodological deficiencies
- Study period:
- 2011
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- other: The reliability can not be assessed because the model documentation is not yet detailed enough to allow a proper assessment.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: report of QSAR model
- Title:
- CAESAR QSAR model for Skin Sensitization, DEX-2
- Year:
- 2 011
- Bibliographic source:
- CAESAR QSAR model for Skin Sensitization - version 1.0.0.8
Materials and methods
Test guideline
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- Structure-activity relationship assessed in silico ((Q)SAR ) model.
- GLP compliance:
- not specified
Test material
- Reference substance name:
- 2-[(R)-(3-methyl-4-nitropyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole
- EC Number:
- 700-683-1
- Cas Number:
- 853950-77-3
- Molecular formula:
- C14H12N4O3S
- IUPAC Name:
- 2-[(R)-(3-methyl-4-nitropyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole
- Reference substance name:
- Cc1c(ccnc1CS(=O)c2[nH]c3ccccc3n2)[N+](=O)[O-]
- IUPAC Name:
- Cc1c(ccnc1CS(=O)c2[nH]c3ccccc3n2)[N+](=O)[O-]
Constituent 1
Constituent 2
Results and discussion
Any other information on results incl. tables
The model output shows that the substance could be a skin sensitizer.
Skin sensitizer class: Active
Class indices: Active=1, Inactive=0
Applicant's summary and conclusion
- Interpretation of results:
- other: inconclusive
- Remarks:
- Criteria used for interpretation of results: EU
- Conclusions:
- The model output shows that the substance could be a skin sensitizer. However, the study is disregarded because the reliability can not be assessed (the model documentation is not yet detailed enough to allow a proper assessment).
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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