Piperazine adipate

Repeated dose toxicity: oral

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

Test material information

Constituent 1

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.