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EC number: 254-879-2 | CAS number: 40306-75-0
Repeated dose toxicity: oral
Administrative data
- Endpoint:
- short-term repeated dose 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:
- R: QSAR Toolbox 2.3.0.1132 prediction for "Effect LOEL" read across evaluation for 40306-75-0
- Author:
- Sustainability Support Services (Europe) AB
- Year:
- 2 012
- Bibliographic source:
- QSAR Toolbox version 2.3
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 2.3.
- GLP compliance:
- no
Test material
- Reference substance name:
- 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid
- EC Number:
- 254-879-2
- EC Name:
- 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid
- Cas Number:
- 40306-75-0
- Molecular formula:
- C8H10N2O5S
- IUPAC Name:
- 3-acetamido-5-amino-4-hydroxybenzenesulfonic acid
- Details on test material:
- - Name of test material : 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid
- Molecular formula : C8H10N2O5S
- Molecular weight : 246.24
Constituent 1
Test animals
- Species:
- rat
- Strain:
- other: F344;F344/N;Fischer;Wistar;Sprague-Dawley;ChR COBS-CD;SD-JCL;Sherman
- Sex:
- not specified
Administration / exposure
- Route of administration:
- oral: unspecified
- Vehicle:
- unchanged (no vehicle)
Results and discussion
Effect levels
- Dose descriptor:
- LOEL
- Effect level:
- 895.442 mg/kg bw/day (nominal)
- Based on:
- test mat.
- Sex:
- not specified
- 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
Any other information on results incl. tables
The
prediction was based on dataset comprised from the following
descriptors: "effect LOEL"
Estimation method: Taking 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" )
)
Domain
logical expression index: "a"
Similarity
boundary:Target:
c1(N)c(O)c(NC(C)=O)cc(S(=O)(=O)O)c1
Threshold=50%,
Dice(Atom pairs)
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OASIS
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Acid anhydride OR Activated
alkyl esters OR alpha,beta-carbonyl compounds with polarized double
bonds OR MA: Direct acylation involving a leaving group OR MA: Michael
addition on conjugated systems with electron withdrawing group OR MA:
Nucleophilic substitution at sp3 Carbon atom OR Mechanistic Domain:
Acylation OR Mechanistic Domain: Michael addition OR Mechanistic Domain:
SN2 OR N-acylamides OR N-acylsulphonamides OR Nitroalkenes OR
Thiophosphates by Protein binding by OASIS
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Class 5 (Not possible to
classify according to these rules) by Acute aquatic toxicity
classification by Verhaar
Domain
logical expression index: "e"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -3.81
Domain
logical expression index: "f"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 0.273
Applicant's summary and conclusion
- Conclusions:
- The repeated dose toxicity LOEL (Lowest observed effect level) of 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid in rat was observed at a dose concentration of 895.4425 mg/kg/day by the oral route.This indicates that 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid shall not exhibit toxic effect to rat by the oral route below the above mention dose.
- Executive summary:
Based on the QSAR estimation, the repeated dose toxicity LOEL (Lowest observed effect level) of 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid in rat was observed at a dose concentration of 895.4425 mg/kg/day by the oral route.This indicates that 3-acetamido-5-amino-4-hydroxy benzene sulphonic acid shall not exhibit toxic effect to rat by the oral route below the above mention dose.
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