Piperazine adipate

Endpoint summary

Key value for chemical safety assessment

Repeated dose toxicity: via oral route - systemic effects

Link to relevant study records

Reference

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

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

Species:

mouse

Strain:

B6C3F1

Sex:

male/female

Route of administration:

oral: gavage

Vehicle:

corn oil

Duration of treatment / exposure:

98 days

Frequency of treatment:

once daily

Remarks:

Doses / Concentrations:
0.00, 75.00, 150.00, 300.00
Basis:
nominal in diet

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

Critical effects observed:

not specified

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

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.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed

Study duration:

subchronic

Species:

mouse

Quality of whole database:

K2 data is predicted using the OECD QSAR toolbox version 3.0

Repeated dose toxicity: inhalation - systemic effects

Link to relevant study records

Reference

Endpoint:

short-term repeated dose toxicity: inhalation

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

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

Species:

rat

Strain:

other: Sprague-Dawley;F344;Wistar;CD

Sex:

male/female

Route of administration:

inhalation: vapour

Type of inhalation exposure:

not specified

Vehicle:

not specified

Duration of treatment / exposure:

28 days

Frequency of treatment:

6 hours/day and 5 days/week

Remarks:

Doses / Concentrations:
0.00, 3.10, 9.90, 30.00, 98.00
Basis:
nominal conc.

Dose descriptor:

LOEL

Effect level:

152.49 other: mg/kg/day

Based on:

test mat.

Sex:

male/female

Basis for effect level:

other: Decrease in body weight

Critical effects observed:

not specified

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 ( not "c") ) ) and "d" ) and "e" ) and ("f" and "g" ) )

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 alert found by Protein binding by OECD

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Acylation OR Acylation >> Direct Acylation Involving a Leaving group OR Acylation >> Direct Acylation Involving a Leaving group >> Acetates OR Acylation >> Isocyanates and Related Chemicals OR Acylation >> Isocyanates and Related Chemicals >> Isocyanates OR Michael addition OR Michael addition >> Polarised Alkenes OR Michael addition >> Polarised Alkenes >> Polarised alkene - esters OR SN2 OR SN2 >> Epoxides and Related Chemicals OR SN2 >> Epoxides and Related Chemicals >> Epoxides OR SN2 >> SN2 reaction at a sulphur atom OR SN2 >> SN2 reaction at a sulphur atom >> Thiols OR SN2 >> SN2 reaction at sp3 carbon atom OR SN2 >> SN2 reaction at sp3 carbon atom >> alpha-Halocarbonyls by Protein binding by OECD

Domain logical expression index: "d"

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

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"

Parametric boundary:The target chemical should have a value of log Kow which is >= -0.484

Domain logical expression index: "g"

Parametric boundary:The target chemical should have a value of log Kow which is <= 1.81

Conclusions:

Based on the prediction done for piperazine adipate for repeated dose via inhalation route for subacute value on rat, the estimated lowest observed effect level (LOEL) is 152.49 mg/kg bw/day for body weight decrease effect. Based on this value it can be conclued that piperazine adipate is not toxic via inhalation route for the above mentioned dose.

Executive summary:

Based on the prediction done for piperazine adipate for repeated dose via inhalation route for subacute value on rat, the estimated lowest observed effect level (LOEL) is 152.49 mg/kg bw/day for body weight decrease effect. Based on this value it can be conclued that piperazine adipate is not toxic via inhalation route for the above mentioned dose.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed

Study duration:

subacute

Species:

rat

Quality of whole database:

K2 data is predicted using the OECD QSAR toolbox version 3.0

Repeated dose toxicity: dermal - systemic effects

Link to relevant study records

Reference

Endpoint:

repeated dose toxicity: dermal

Data waiving:

other justification

Justification for data waiving:

other:

Critical effects observed:

not specified

Endpoint conclusion

Endpoint conclusion:

no study available

Additional information

Justification for selection of repeated dose toxicity via oral route - systemic effects endpoint:

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.

Justification for selection of repeated dose toxicity inhalation - systemic effects endpoint:

Based on the prediction done for piperazine adipate for repeated dose via inhalation route for subacute value on rat, the estimated lowest observed effect level (LOEL) is 152.49 mg/kg bw/day for body weight decrease effect. Based on this value it can be conclued that piperazine adipate is not toxic via inhalation route for the above mentioned dose.