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Administrative data

Endpoint:
two-generation reproductive toxicity
Remarks:
based on test type (migrated information)
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
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

Constituent 1
Chemical structure
Reference substance name:
Methyl 5-nitrohydrogen.isophthalate
EC Number:
217-793-6
EC Name:
Methyl 5-nitrohydrogen.isophthalate
Cas Number:
1955-46-0
Molecular formula:
C9H7NO6
IUPAC Name:
3-(methoxycarbonyl)-5-nitrobenzoic acid
Details on test material:
SMILES:C(=O)(O)c1cc(C(=O)OC)cc(N(=O)=O)c1

Test animals

Species:
other: Rattus norvegicus
Sex:
male/female

Administration / exposure

Route of administration:
oral: unspecified
Duration of treatment / exposure:
Reproduction study in which 25 male and female rats were dosed with 5, 10 and 25 mg/kg/day of the test material for 10 weeks premating for 2 generations

Results and discussion

Results: P0 (first parental generation)

Effect levels (P0)

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

Target system / organ toxicity (P0)

Critical effects observed:
not specified
System:
other: other details not available
Treatment related:
not specified
Dose response relationship:
not specified
Relevant for humans:
not specified

Results: P1 (second parental generation)

Effect levels (P1)

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

Target system / organ toxicity (P1)

Critical effects observed:
not specified
System:
other: other details not available
Treatment related:
not specified
Dose response relationship:
not specified
Relevant for humans:
not specified

Results: F1 generation

Effect levels (F1)

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

Target system / organ toxicity (F1)

Critical effects observed:
not specified
Treatment related:
not specified
Dose response relationship:
not specified
Relevant for humans:
not specified

Results: F2 generation

Effect levels (F2)

Dose descriptor:
LOEL
Generation:
F2
Effect level:
142.915 mg/kg bw/day
Based on:
test mat.
Sex:
male/female
Basis for effect level:
other: effect on liver was studied
Remarks on result:
other: other details not available

Target system / organ toxicity (F2)

Critical effects observed:
not specified
Treatment related:
not specified
Dose response relationship:
not specified
Relevant for humans:
not specified

Overall reproductive toxicity

Reproductive effects observed:
not specified
Treatment related:
not specified
Relation to other toxic effects:
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 10 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 >= 0.851

Domain logical expression index: "d"

Parametric boundary:The target chemical should have a value of log Kow which is <= 2.15

Applicant's summary and conclusion

Conclusions:
The LOEL effect on liver of Rattus norvegicus for methyl 5-nitrohydrogen.isophthalate is found to be 142.9 mg/kg bw/day
Executive summary:

The LOEL effect on liver of Rattus norvegicus for methyl 5-nitrohydrogen.isophthalate is found to be 142.9 mg/kg bw/day