Registration Dossier
Registration Dossier
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EC number: 274-157-0 | CAS number: 69851-61-2
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation, other
- Remarks:
- QSAR
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Derek Nexus: 5.0.2, Nexus: 2.1.1
Derek prediction report is attached in IULCID. - GLP compliance:
- no
Test material
- Reference substance name:
- N,N'-propane-1,3-diylbis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionamide]
- EC Number:
- 274-157-0
- EC Name:
- N,N'-propane-1,3-diylbis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionamide]
- Cas Number:
- 69851-61-2
- Molecular formula:
- C37H58N2O4
- IUPAC Name:
- N,N'-propane-1,3-diylbis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanamide]
- Details on test material:
- Details on test material
- Purity: Not applicable
Smiles: C(=O)(NCCCNC(=O)CCc1cc(C(C)(C)C)c(c(C(C)(C)C)c1)O)CCc2cc(C(C)(C)C)c(c(C(C)(C)C)c2)O (MedChem Designer)
O=C(NCCCNC(=O)CCc1cc(C(C)(C)C)c(c(C(C)(C)C)c1)O)CCc2cc(C(C)(C)C)c(c(C(C)(C)C)c2)O (reformatted by KOWWIN 1.68)
Constituent 1
- Specific details on test material used for the study:
- - Smiles: C(=O)(NCCCNC(=O)CCC=1C=C(C(C)(C)C)C(=C(C(C)(C)C)C=1)O)CCC2=CC(C(C)(C)C)=C(C(C(C)(C)C)=C2)O
Results and discussion
In vivo (non-LLNA)
Results
- Remarks on result:
- no indication of skin sensitisation
- Remarks:
- No alerts in the Derek knowledge base were raised for organ toxicity
Applicant's summary and conclusion
- Conclusions:
- No alerts in the Derek knowledge base were raised for skin sensitisation.
- Executive summary:
The Derek model for skin sensitisation was used within the Nexus database. No alerts in the Derek knowledge base were raised for skin sensitisation.
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