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Administrative data

Key value for chemical safety assessment

Effects on fertility

Link to relevant study records
Reference
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
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
Species:
rat
Strain:
other: Rattus norvegicus
Sex:
male/female
Route of administration:
oral: unspecified
Type of inhalation exposure (if applicable):
not specified
Vehicle:
unchanged (no vehicle)
Duration of treatment / exposure:
10 weeks
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
Critical effects observed:
not specified
System:
other: not specified
Organ:
not specified
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
Critical effects observed:
not specified
System:
other: not specified
Organ:
not specified
Reproductive effects observed:
not specified
Treatment related:
not specified

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

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.

Effect on fertility: via oral route
Endpoint conclusion:
no adverse effect observed
108.763 mg/kg bw/day
Study duration:
subchronic
Species:
rat
Quality of whole database:
K2 level data has been obtained from QSAR model considered by OECD.
Effect on fertility: via inhalation route
Endpoint conclusion:
no study available
Effect on fertility: via dermal route
Endpoint conclusion:
no study available
Additional information

Toxicity to reproduction

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.

Short description of key information:

Study indicates that 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid shall not exhibit toxic effect to Rattus norvegicus.

Justification for selection of Effect on fertility via oral route:

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.

Effects on developmental toxicity

Description of key information

LOEL (Lowest observed effect level) of 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid in Oryctolagus cuniculus;Rattus norvegicus was estimated to be 316.1133 mg/kg bw/day.

Link to relevant study records
Reference
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
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
Species:
other: Rabbit & Rat
Strain:
other: Oryctolagus cuniculus; Rattus norvegicus
Route of administration:
oral: unspecified
Vehicle:
unchanged (no vehicle)
Dose descriptor:
other: not specified
Based on:
not specified
Basis for effect level:
other: not specified
Remarks on result:
other: not specified
Abnormalities:
not specified
Localisation:
not specified
Description (incidence and severity):
not specified
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
Abnormalities:
not specified
Localisation:
other: not specified
Description (incidence and severity):
not specified
Developmental effects observed:
not specified
Treatment related:
not specified

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

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.

Effect on developmental toxicity: via oral route
Endpoint conclusion:
no adverse effect observed
316.113 mg/kg bw/day
Study duration:
subchronic
Species:
rat
Quality of whole database:
K2 level data has been obtained from QSAR model considered by OECD.
Effect on developmental toxicity: via inhalation route
Endpoint conclusion:
no study available
Effect on developmental toxicity: via dermal route
Endpoint conclusion:
no study available
Additional information

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.

Justification for selection of Effect on developmental toxicity: via oral route:

The fetotoxicity LOEL (Lowest observed effect level) of 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid in Oryctolagus cuniculus;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;Rattus norvegicus by the oral route below the above mention dose.

Justification for classification or non-classification

No reproductive toxicity was observed for 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid on any of the animal used for estimation and this results indicates that 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid shall not exhibit toxic effect and so will not be considered for classification i any of the reproductive category.