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EC number: 202-548-8 | CAS number: 96-97-9
Repeated dose toxicity: oral
Administrative data
- Endpoint:
- sub-chronic toxicity: oral
- 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 LOEL 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:
- other: estimated data
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.1
- 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:
- Fischer 344
- Sex:
- male/female
Administration / exposure
- Route of administration:
- oral: feed
- Vehicle:
- not specified
- Analytical verification of doses or concentrations:
- not specified
- Control animals:
- not specified
Results and discussion
Effect levels
- Dose descriptor:
- LOEL
- Effect level:
- 452.163 other: mg/kg/day
- Based on:
- test mat.
- Sex:
- male/female
- Basis for effect level:
- other: not specified
- Remarks on result:
- other: not specified
Target system / organ toxicity
- Critical effects observed:
- not specified
- System:
- other: not specified
- Organ:
- not specified
Any other information on results incl. tables
The
prediction was based on dataset comprised from the following
descriptors: LOEL
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 "e" )
and "f" )
and "g" )
and ("h"
and "i" )
)
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 1 - Alkali Earth
Li,Na,K,Rb,Cs,Fr OR Group 11 - Trans.Metals Cu,Ag,Au OR Group 16 -
Sulfur S OR Group 17 - Halogens Br 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=20%,
Dice(Atom centered fragments)
Domain
logical expression index: "g"
Similarity
boundary:Target:
C(=O)(O)c1c(O)ccc(N(=O)=O)c1
Threshold=30%,
Dice(Atom centered fragments)
Domain
logical expression index: "h"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 1.89
Domain
logical expression index: "i"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 3
Applicant's summary and conclusion
- Conclusions:
- The repeated dose toxicity LOEL (Lowest observed effect level) of 5-nitrosalicylic acid to rat by the oral (Feed) route was estimated at a dose concentration of 452.16 mg/kg bw/day.On the basis of this LOEL value it is concluded that the test substance is not toxic to rat by the oral route below the above mentioned dose.
- Executive summary:
The repeated dose toxicity LOEL (Lowest observed effect level) of 5-nitrosalicylic acid to rat by the oral (Feed) route was estimated at a dose concentration of 452.16 mg/kg bw/day.On the basis of this LOEL value it is concluded that the test substance is not toxic to rat by the oral route below the above mentioned dose.
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