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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
developmental toxicity
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:
other: Rabbit & Rat
Strain:
other: Oryctolagus cuniculus; Rattus norvegicus

Administration / exposure

Route of administration:
oral: unspecified
Vehicle:
unchanged (no vehicle)

Results and discussion

Results: maternal animals

Effect levels (maternal animals)

Dose descriptor:
other: not specified
Based on:
not specified
Basis for effect level:
other: not specified
Remarks on result:
other: not specified

Maternal abnormalities

Abnormalities:
not specified
Localisation:
not specified
Description (incidence and severity):
not specified

Results (fetuses)

Effect levels (fetuses)

Dose descriptor:
LOEL
Effect level:
316.113 mg/kg bw/day
Based on:
test mat.
Sex:
not specified
Basis for effect level:
other: fetotoxicity
Remarks on result:
other: not specified

Fetal abnormalities

Abnormalities:
not specified
Localisation:
other: not specified
Description (incidence and severity):
not specified

Overall developmental toxicity

Developmental 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 ( not "e") ) ) and "f" ) and "g" ) and ("h" and "i" ) )

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 Aromatic phenylureas OR MA: Iminium Ion Formation OR MA: Nitrenium Ion Formation OR MA: P450 Mediated Activation to Quinones and Quinone-type Chemicals OR MA: SN2 at an sp3 Carbon atom OR Mechanistic Domain: Michael addition OR Mechanistic Domain: SN1 OR Mechanistic Domain: SN2 OR Methylenedioxyphenyl OR Primary aromatic amine OR Sulfonates OR Unsaturated heterocyclic phenylureas by DNA binding by OECD

Domain logical expression index: "d"

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

Domain logical expression index: "e"

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 Phosphates OR Pyrazolones and pyrazolidinones OR Thiophosphates OR Vinyl sulfonyl compounds by Protein binding by OASIS

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 High (Class III) by Toxic hazard classification by Cramer (with extension)

Domain logical expression index: "h"

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

Domain logical expression index: "i"

Parametric boundary:The target chemical should have a value of log Kow which is <= 1.17

Applicant's summary and conclusion

Conclusions:
3-acetamido-5-amino-4-hydroxybenzenesulphonic acid] shall not exhibit toxic effect to Oryctolagus cuniculus or Rattus norvegicus by the oral route.
Executive summary:

The fetotoxicity LOEL (Lowest observed effect level) of 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid on Oryctolagus cuniculus and Rattus norvegicus by oral exposure was observed at a dose concentration of 316.1133 mg/kg bw/day . This indicates that 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid] shall not exhibit toxic effect to Oryctolagus cuniculus or Rattus norvegicus by the oral route below the above mention dose.