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EC number: 202-548-8 | CAS number: 96-97-9
Toxicity to reproduction
Administrative data
- Endpoint:
- two-generation reproductive toxicity
- Remarks:
- based on test type (migrated information)
- 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 NOAEL for CAS 96-97-9
- Author:
- Sustainability Support Services (Europe) AB
- Year:
- 2 013
- Bibliographic source:
- QSAR Toolbox version 3.1
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 422 (Combined Repeated Dose Toxicity Study with the Reproduction / Developmental Toxicity Screening Test)
- GLP compliance:
- no
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
Test animals
- Species:
- rat
- Strain:
- Sprague-Dawley
- Sex:
- female
Administration / exposure
- Route of administration:
- oral: gavage
- Type of inhalation exposure (if applicable):
- not specified
- Vehicle:
- not specified
- Analytical verification of doses or concentrations:
- not specified
- Duration of treatment / exposure:
- 90 days
- Control animals:
- not specified
Results and discussion
Results: P0 (first parental generation)
Effect levels (P0)
- Dose descriptor:
- other: not specified
- Based on:
- not specified
- Sex:
- not specified
- Basis for effect level:
- other: not specified
- Remarks on result:
- other: not specified
Target system / organ toxicity (P0)
- Critical effects observed:
- not specified
- System:
- other: not specified
- Organ:
- not specified
Results: F2 generation
Effect levels (F2)
- Dose descriptor:
- NOAEL
- Generation:
- F2
- Effect level:
- 243.829 mg/kg bw/day
- Based on:
- test mat.
- Sex:
- female
- Basis for effect level:
- other: not specified
- Remarks on result:
- other: not specified
Target system / organ toxicity (F2)
- Critical effects observed:
- not specified
- System:
- other: not specified
- Organ:
- not specified
Overall reproductive toxicity
- Reproductive effects observed:
- not specified
- Treatment related:
- not specified
Any other information on results incl. tables
The
prediction was based on dataset comprised from the following
descriptors: NOAEL
Estimation method: Takes average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
(((((("a"
and ("b"
and (
not "c")
)
)
and ("d"
and (
not "e")
)
)
and "f" )
and "g" )
and "h" )
and ("i"
and "j" )
)
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 No alert found by Protein
binding by OASIS v1.1
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Acylation OR Acylation >> Direct
acylation involving a leaving group OR Acylation >> Direct acylation
involving a leaving group >> Carbamates OR Acylation >> Direct acylation
involving a leaving group >> N-acylamides OR Acylation >> Ring opening
acylation OR Acylation >> Ring opening acylation >> Active cyclic agents
OR Michael addition OR Michael addition >> Michael addition on
conjugated systems with electron withdrawing group OR Michael addition
>> Michael addition on conjugated systems with electron withdrawing
group >> alpha,beta-carbonyl compounds with polarized double bonds OR
Michael addition >> Quinone type compounds OR Michael addition >>
Quinone type compounds >> Quinone (di)imines OR Schiff base formation OR
Schiff base formation >> Pyrazolones and pyrazolidinones derivatives OR
Schiff base formation >> Pyrazolones and pyrazolidinones derivatives >>
Pyrazolones and pyrazolidinones OR SN2 OR SN2 >> Nucleophilic
substitution at Nitrogen atom OR SN2 >> Nucleophilic substitution at
Nitrogen atom >> N-halogenated diketones or sulfoxides/sulfones OR SN2
>> Nucleophilic substitution on heterocyclic sulfenamides OR SN2 >>
Nucleophilic substitution on heterocyclic sulfenamides >> Heterocyclic
sulfenamides by Protein binding by OASIS v1.1
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OECD
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Acylation OR Acylation >> Direct
Acylation Involving a Leaving group OR Acylation >> Direct Acylation
Involving a Leaving group >> Acetates by Protein binding by OECD
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as High (Class III) by Toxic hazard
classification by Cramer (original)
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis
Domain
logical expression index: "h"
Similarity
boundary:Target:
C(=O)(O)c1c(O)ccc(N(=O)=O)c1
Threshold=10%,
Dice(Atom centered fragments)
Domain
logical expression index: "i"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 2.14
Domain
logical expression index: "j"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 2.73
Applicant's summary and conclusion
- Conclusions:
- In Combined Repeated Dose Toxicity Study with the Reproduction Test NOAEL (no observed adverse effect level) of 5-nitrosalicylic acid in female rat by oral (gavage)route was estimated at a dose concentration of 243.8289 mg/kg bw/day.
- Executive summary:
In Combined Repeated Dose Toxicity Study with the Reproduction Test NOAEL (no observed adverse effect level) of 5-nitrosalicylic acid in female rat by oral (gavage)route was estimated at a dose concentration of 243.8289 mg/kg bw/day.
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