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Toxicological information

Developmental toxicity / teratogenicity

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Administrative data

Endpoint:
developmental toxicity
Type of information:
migrated information: read-across based on grouping of substances (category approach)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)

Data source

Reference
Reference Type:
other: Predicted data
Title:
R: QSAR Toolbox 2.3.0.1132 prediction for LOEL read across evaluation for 1955-46-0
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:
On the basis of priciples of QSAR the prediction has been done as suggested by ECHA
GLP compliance:
not specified

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
SMILES:C(=O)(O)c1cc(C(=O)OC)cc(N(=O)=O)c1

Test animals

Species:
other: Rattus norvegicus;Oryctolagus cuniculus

Administration / exposure

Route of administration:
oral: unspecified
Duration of treatment / exposure:
Developmental Study in which 25 female rats were dosed with 5, 10 and 25 mg/kg/day of the test material on GD 6-15, 10

Results and discussion

Results: maternal animals

Effect levels (maternal animals)

Dose descriptor:
other: other details not available
Based on:
not specified
Remarks on result:
other: other details not available

Maternal abnormalities

Abnormalities:
not specified
Description (incidence and severity):
other details not available

Results (fetuses)

Effect levels (fetuses)

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

Fetal abnormalities

Abnormalities:
not specified
Description (incidence and severity):
other details not available

Overall developmental toxicity

Developmental effects observed:
not specified
Treatment related:
not specified
Relation to maternal toxicity:
not specified
Dose response relationship:
not specified
Relevant for humans:
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 ("c" and "d" ) )

Domain logical expression index: "a"

Similarity boundary:Target: C(=O)(O)c1cc(C(=O)OC)cc(N(=O)=O)c1
Threshold=50%,
Dice(Atom pairs)

Domain logical expression index: "b"

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

Domain logical expression index: "c"

Parametric boundary:The target chemical should have a value of log Kow which is >= 1.41

Domain logical expression index: "d"

Parametric boundary:The target chemical should have a value of log Kow which is <= 1.55

Applicant's summary and conclusion

Conclusions:
The LOEL value of effect on fetotoxicity of Rattus norvegicus for methyl 5-nitrohydrogen.isophthalate is found to be 249.25 mg/kg bw/day
Executive summary:

The LOEL value of effect on fetotoxicity of Rattus norvegicus for methyl 5-nitrohydrogen.isophthalate is found to be 249.25 mg/kg bw/day