Registration Dossier
Registration Dossier
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EC number: 202-572-9 | CAS number: 97-32-5
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation: in vivo (LLNA)
- Type of information:
- migrated information: read-across based on grouping of substances (category approach)
- Adequacy of study:
- supporting study
- Reliability:
- other: Prediction confidence is measured by the p-value = 0.0312 (moderate confidence)
- Rationale for reliability incl. deficiencies:
- other: QSAR Toolbox: moderate confidence
Data source
Reference
- Reference Type:
- other: QSAR
- Title:
- Unnamed
- Year:
- 2 015
- Report date:
- 2015
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 429 (Skin Sensitisation: Local Lymph Node Assay)
- GLP compliance:
- no
- Type of study:
- mouse local lymph node assay (LLNA)
Test material
- Reference substance name:
- 4-methoxy-3-nitro-N-phenylbenzamide
- EC Number:
- 202-572-9
- EC Name:
- 4-methoxy-3-nitro-N-phenylbenzamide
- Cas Number:
- 97-32-5
- Molecular formula:
- C14H12N2O4
- IUPAC Name:
- 4-methoxy-3-nitro-N-phenylbenzamide
- Details on test material:
- SMILES:COc1ccc(C(=O)Nc2ccccc2)cc1N(=O)=O
Constituent 1
In vivo test system
Test animals
- Species:
- mouse
- Strain:
- CBA
Results and discussion
Any other information on results incl. tables
The prediction was based on dataset comprised from the following descriptors: "Skin Sensitisation"
Estimation method: Takes highest mode value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
(("a" and "b" ) and ("c" and "d" ) )
Domain logical expression index: "a"
Referential boundary: The target chemical should be classified as Acylation AND Acylation >> Ester aminolysis AND Acylation >> Ester aminolysis >> Amides by Protein binding alerts for skin sensitization by OASIS v1.3
Domain logical expression index: "b"
Similarity boundary:Target: COc1ccc(C(=O)Nc2ccccc2)cc1N(=O)=O
Threshold=20%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain logical expression index: "c"
Parametric boundary:The target chemical should have a value of log Kow which is >= -1.89
Domain logical expression index: "d"
Parametric boundary:The target chemical should have a value of log Kow which is <= 8.25
Applicant's summary and conclusion
- Interpretation of results:
- not sensitising
- Remarks:
- Migrated information
- Conclusions:
- Based on the analysis of OECD QSAR Toolbox, the target substance is considered as non sensitizer.
Findings do not meet criteria for classification according to Regulation (EC) No 1272/2008. - Executive summary:
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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