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EC number: 202-548-8 | CAS number: 96-97-9
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- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
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- Long-term toxicity to aquatic invertebrates
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Genetic toxicity: in vitro
Administrative data
- Endpoint:
- in vitro gene mutation study in bacteria
- Remarks:
- Type of genotoxicity: gene mutation
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: Predicted data
- Title:
- Estimation for Gene mutation for CAS 96-97-9
- Author:
- Sustainability Support Services (Europe) AB
- Year:
- 2 013
- Bibliographic source:
- QSAR Toolbox version 3.1.0
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: Estimated data
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.1.0
- GLP compliance:
- no
- Type of assay:
- bacterial reverse mutation assay
Test material
- Reference substance name:
- 5-nitrosalicylic acid
- EC Number:
- 202-548-8
- EC Name:
- 5-nitrosalicylic acid
- Cas Number:
- 96-97-9
- Molecular formula:
- C7H5NO5
- IUPAC Name:
- 5-nitrosalicylic acid
- Details on test material:
- - Name of test material (as cited in study report): 5-nitrosalicylic acid
- Substance type: Organic
- Physical state: solid
Constituent 1
Method
Species / strain
- Species / strain / cell type:
- S. typhimurium TA 97
- Additional strain / cell type characteristics:
- not specified
- Metabolic activation:
- without
- Metabolic activation system:
- S9
Results and discussion
Test results
- Species / strain:
- S. typhimurium TA 97
- Metabolic activation:
- without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- not specified
- Vehicle controls validity:
- not specified
- Untreated negative controls validity:
- not specified
- Positive controls validity:
- not specified
- Remarks on result:
- other: all strains/cell types tested
- Remarks:
- Migrated from field 'Test system'.
Any other information on results incl. tables
The prediction was based on dataset comprised from the following descriptors: "Gene mutation"
Estimation method: Takes highest mode value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
((((("a" and ("b" and ( not "c") ) ) and "d" ) and "e" ) and "f" ) and ("g" and "h" ) )
Domain logical expression index: "a"
Referential boundary: The target chemical should be classified as Group 14 - Carbon C AND Group 15 - Nitrogen N AND Group 16 - Oxygen O by Chemical elements
Domain logical expression index: "b"
Referential boundary: The target chemical should be classified as Group 14 - Carbon C AND Group 15 - Nitrogen N AND Group 16 - Oxygen O by Chemical elements
Domain logical expression index: "c"
Referential boundary: The target chemical should be classified as Group 15 - Phosphorus P OR Group 16 - Sulfur S OR Group 17 - Halogens Cl OR Group 17 - Halogens F,Cl,Br,I,At by Chemical elements
Domain logical expression index: "d"
Referential boundary: The target chemical should be classified as Bioavailable by Lipinski Rule Oasis
Domain logical expression index: "e"
Similarity boundary:Target: C(=O)(O)c1c(O)ccc(N(=O)=O)c1
Threshold=10%,
Dice(Atom centered fragments)
Domain logical expression index: "f"
Similarity boundary:Target: C(=O)(O)c1c(O)ccc(N(=O)=O)c1
Threshold=40%,
Dice(Atom centered fragments)
Domain logical expression index: "g"
Parametric boundary:The target chemical should have a value of log Kow which is >= 2.24
Domain logical expression index: "h"
Parametric boundary:The target chemical should have a value of log Kow which is <= 3.69
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information):
negative
Based on the prediction for in-vitro bacterial reverse mutation assay test on Salmonella typhimurium strain TA 97 without S9 metabolic activation it was estimated that 5-nitrosalicylic acid does not exhibit positive gene mutation effect. - Executive summary:
Based on the prediction for in-vitro bacterial reverse mutation assay test on Salmonella typhimurium strain TA 97 without S9 metabolic activation it was estimated that 5-nitrosalicylic acid does not exhibit positive gene mutation effect.
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