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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

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:
R: QSAR Toolbox 2.3.0.1132 prediction for 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
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

Constituent 1
Chemical structure
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

Test animals

Species:
rat
Strain:
other: Rattus norvegicus
Sex:
male/female

Administration / exposure

Route of administration:
oral: unspecified
Type of inhalation exposure (if applicable):
not specified
Vehicle:
unchanged (no vehicle)
Duration of treatment / exposure:
10 weeks

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:
LOEL
Generation:
F2
Effect level:
108.763 mg/kg bw/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 (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: 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 ( not "f") ) ) and ("g" and "h" ) )

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 DNA binding by OECD

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Aliphatic tertiary amines OR Aromatic nitro OR MA: Iminium Ion Formation OR MA: Nitrenium Ion Formation OR MA: P450 Mediated Activation to Quinones and Quinone-type Chemicals OR Mechanistic Domain: Michael addition OR Mechanistic Domain: SN1 OR Methylenedioxyphenyl OR Primary aromatic amine by DNA binding by OECD

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as High (Class III) by Toxic hazard classification by Cramer (with extension)

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as No alert found by Protein binding by OASIS

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as alpha,beta-carbonyl compounds with polarized double bonds OR Carbamates 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 MA: Pyrazolones and pyrazolidinones derivatives OR Mechanistic Domain: Acylation OR Mechanistic Domain: Michael addition OR Mechanistic Domain: Schiff base formation OR Mechanistic Domain: SN2 OR N-acylamides OR N-acylsulphonamides OR Pyrazolones and pyrazolidinones OR Thiophosphates by Protein binding by OASIS

Domain logical expression index: "g"

Parametric boundary:The target chemical should have a value of log Kow which is >= -4.82

Domain logical expression index: "h"

Parametric boundary:The target chemical should have a value of log Kow which is <= 1.49

Applicant's summary and conclusion

Conclusions:
3-acetamido-5-amino-4-hydroxybenzenesulphonic acid shall not exhibit toxic effect to Rattus norvegicus below the mentioned dose.
Executive summary:

The two generation reproductive toxicity LOEL (Lowest observed effect level) of 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid in Rattus norvegicus was observed at a dose concentration of 108.7634 mg/kg bw/day.This indicates that 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid shall not exhibit toxic effect to Rattus norvegicus below the above mention dose. This conclusion has been drawn based on the QSAR prediction done on the target chemical.