Registration Dossier

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:
2012
Bibliographic source:
QSAR Toolbox version 2.3

Materials and methods

Test guideline
Qualifier:
according to
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
Name:
Unnamed
Type:
Constituent
Details on test material:
- Name of test material : 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid
- Molecular formula : C8H10N2O5S
- Molecular weight : 246.24

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.