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Toxicological information

Repeated dose toxicity: oral

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Administrative data

Endpoint:
sub-chronic toxicity: oral
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 "Effect 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:
rat
Strain:
other: no data;Wistar;Sprague-Dawley;F344;Charles River;F344/N;CD;Long-Evans;Albino, not further specified;SD-JCL

Administration / exposure

Route of administration:
oral: feed

Results and discussion

Effect levels

Dose descriptor:
other: "Effect LOEL"
Effect level:
735.11 mg/kg bw/day (nominal)
Based on:
test mat.
Sex:
male/female
Remarks on result:
other: other details not available

Target system / organ toxicity

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

Any other information on results incl. tables

The prediction was based on dataset comprised from the following descriptors: "effect LOEL"
Estimation method: Taking average value from the 5 nearest neighbours
Domain logical expression:Result: Out of 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"

Similarity boundary:Target: C(=O)(O)c1cc(C(=O)OC)cc(N(=O)=O)c1
Threshold=60%,
Dice(Atom pairs)

Domain logical expression index: "c"

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

Domain logical expression index: "d"

Parametric boundary:The target chemical should have a value of log Kow which is <= 1.79

Applicant's summary and conclusion

Conclusions:
Repeated dose LOEL effect on rat for methyl 5-nitrohydrogen.isophthalate is found to 735.11 mg/kg/day
Executive summary:

Repeated dose LOEL effect on rat for methyl 5-nitrohydrogen.isophthalate is found to 735.11 mg/kg/day