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Toxicological information

Repeated dose toxicity: oral

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Administrative data

Endpoint:
sub-chronic toxicity: oral
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: Prediction report
Title:
[R]: 292 mg/kg/day "Human Health Hazards#Repeated Dose Toxicity" for 142-88-1
Author:
Sustainability Support Services (Europe) AB
Year:
2012
Bibliographic source:
QSAR toolbox version 3.0

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: Estimated data
Principles of method if other than guideline:
QSAR prediction is done using the QSAR toolbox version 3.0
GLP compliance:
not specified

Test material

Constituent 1
Chemical structure
Reference substance name:
Piperazine adipate
EC Number:
205-569-0
EC Name:
Piperazine adipate
Cas Number:
142-88-1
Molecular formula:
C6H10O4.C4H10N2
IUPAC Name:
piperazine adipate
Details on test material:
SMILES:C(=O)(O)CCCCC(=O)O_C1CNCCN1

Test animals

Species:
mouse
Strain:
B6C3F1
Sex:
male/female

Administration / exposure

Route of administration:
oral: gavage
Vehicle:
corn oil
Duration of treatment / exposure:
98 days
Frequency of treatment:
once daily
Doses / concentrations
Remarks:
Doses / Concentrations:
0.00, 75.00, 150.00, 300.00
Basis:
nominal in diet

Results and discussion

Effect levels

Dose descriptor:
LOEL
Effect level:
292.468 other: mg/kg bw/day
Based on:
test mat.
Sex:
male/female
Basis for effect level:
other: body weight decrease

Target system / organ toxicity

Critical effects observed:
not specified

Any other information on results incl. tables






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

((((("a" and "b" ) and ("c" and ( not "d") ) ) and "e" ) and ("f" and ( not "g") ) ) and ("h" and "i" ) )

Domain logical expression index: "a"

Similarity boundary:Target: C(=O)(O)CCCCC(=O)O_C1CNCCN1
Threshold=50%,
Dice(Atom pairs)

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as No superfragment by Superfragments

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Not possible to classify according to these rules (GSH) by Protein binding potency

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Highly reactive (GSH) OR Highly reactive (GSH) >> 2-Alken-1-als (MA) OR Highly reactive (GSH) >> Cinnamaldehydes (MA) OR Moderately reactive (GSH) OR Moderately reactive (GSH) >> Substituted 1-Alken-3-ones (MA) by Protein binding potency

Domain logical expression index: "e"

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

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Non-Metals by Groups of elements

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as Alkali Earth OR Halogens by Groups of elements

Domain logical expression index: "h"

Parametric boundary:The target chemical should have a value of log Kow which is >= -0.392

Domain logical expression index: "i"

Parametric boundary:The target chemical should have a value of log Kow which is <= 0.666

Applicant's summary and conclusion

Conclusions:
Based on the prediction done for piperazine adipate for repeated dose via oral route for subchronic value on mouse, the estimated lowest observed effect level (LOEL) is 292.46 mg/kg bw/day for body weight decrease effect. Based on this value it can be conclued that piperazine adipate is not toxic via oral route for the above mentioned dose.
Executive summary:

Based on the prediction done for piperazine adipate for repeated dose via oral route for subchronic value on mouse, the estimated lowest observed effect level (LOEL) is 292.46 mg/kg bw/day for body weight decrease effect. Based on this value it can be conclued that piperazine adipate is not toxic via oral route for the above mentioned dose.