L-Glutamic acid, N-coco acyl derivs., compds. with triethanolamine (1:1)

Developmental toxicity / teratogenicity

Administrative data

Endpoint:

developmental toxicity

Type of information:

(Q)SAR

Adequacy of study:

key study

Study period:

2018

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source

Justification for type of information:

The test material is a mixture of many substances. Comparison of all substances has shown that they are expected to have the same developmental toxicity. For the purpose of addressing the developmental toxicity endpoint the most concentrated component of the test material was assessed individually.

Cross-reference

Reason / purpose for cross-reference:

other: read-across target

Reference

Endpoint:

developmental toxicity

Type of information:

read-across from supporting substance (structural analogue or surrogate)

Adequacy of study:

key study

Justification for type of information:

For the justification for read-across, please refer to the read-across assessment framework report that is attached to Section 13.

Reason / purpose for cross-reference:

read-across source

Dose descriptor:

other: Reproductive toxicity potential.

Based on:

test mat.

Basis for effect level:

other: Not known precedent reproductive and developmental toxic potential.

Remarks on result:

not measured/tested

Abnormalities:

not specified

Dose descriptor:

other: Developmental toxicity potential.

Based on:

test mat.

Sex:

not specified

Basis for effect level:

other: Not known precedent reproductive and developmental toxic potential.

Remarks on result:

not measured/tested

Abnormalities:

not specified

Developmental effects observed:

not specified

Treatment related:

not specified

Toxicity of the target chemical (Not known precedent reproductive and developmental toxic potential) is predicted by QSAR "Developmental and Reproductive Toxicity (DART)". The current prediction has no applicability domain.

Conclusions:

Based on the modelled conditions, the developmental toxicity of the target chemical is predicted to be "Not known precedent reproductive and developmental toxic potential".

Executive summary:

The potential of the component present at the highest concentration in the test material to cause developmental toxicity was modelled using the DART QSAR model in the OECD Toolbox. A prediction of "Not known precedent reproductive and developmental toxic potential" was obtained. It has been shown, using read across, that all components are expected to have the same toxicity. Therefore, the developmental toxicity of the target chemical is predicted to be "Not known precedent reproductive and

developmental toxic potential".

Data source

Reference

Reference Type:

other: QSAR Prediction

Title:

QSAR Toolbox prediction for single chemical.

Author:

Anon.

Year:

2018

Bibliographic source:

OECD QSAR Toolbox v 4.2

Report date:

2018

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

other: REACH guidance on QSARs R.6. May/July 2008

Principles of method if other than guideline:

This QSAR model is based on profiling results obtained by DART scheme v 1.0. This QSAR is used for identifying chemicals with structural features associated with the potential to act as reproductive or developmental toxicants. The outcome of the QSAR model is “Known precedent reproductive and developmental toxic potential”, if the chemical has a potential to cause toxicity. The corresponding category is displayed in the report generated for the obtained prediction. The other prediction results are “Not known precedent reproductive and developmental toxic potential” if the toxic potential of the input chemical is not known, and “Not covered by current version of the decision tree” if the identified structural features are not objects of the tree.

GLP compliance:

no

Remarks:

As no laboratory work took place, compliance with GLP is not required.

Test material

Test material information

Constituent 1

Reference substance name:

L-Glutamic acid, N-coco acyl derivs., compds. with triethanolamine (1:1)

EC Number:

269-084-6

EC Name:

L-Glutamic acid, N-coco acyl derivs., compds. with triethanolamine (1:1)

Cas Number:

68187-29-1

Molecular formula:

Not specified (UVCB substance)

IUPAC Name:

bis(tris(2-hydroxyethyl)azanium) (2S)-4-carboxy-2-dodecanamidobutanoate (2S)-4-carboxy-2-tetradecanamidobutanoate

Test material form:

solid

Specific details on test material used for the study:

SMILES: OCC[N+H](CCO)CCO.CCCCCCCC(=O)NC(CCC(O)=O)C([O-])=O

Test animals

Species:

other: QSAR; species not specified

Results and discussion

Results: maternal animals

Effect levels (maternal animals)

Dose descriptor:

other: Reproductive toxicity potential

Based on:

test mat.

Basis for effect level:

other: Not known precedent reproductive and developmental toxic potential

Remarks on result:

not measured/tested

Maternal abnormalities

Abnormalities:

not specified

Results (fetuses)

Effect levels (fetuses)

Dose descriptor:

other: Developmental toxicity potential

Based on:

test mat.

Sex:

not specified

Basis for effect level:

other: Not known reproductive and developmental toxic potential

Remarks on result:

not measured/tested

Fetal abnormalities

Abnormalities:

not specified

Overall developmental toxicity

Developmental effects observed:

not specified

Treatment related:

not specified

Any other information on results incl. tables

Toxicity of the target chemical (Not known precedent reproductive and developmental toxic potential) is predicted by QSAR "Developmental and Reproductive Toxicity (DART)". The current prediction has no applicability domain.

Applicant's summary and conclusion

Conclusions:

Toxicity of the target chemical was predicted by QSAR "Developmental and Reproductive Toxicity (DART)". The target chemical was predicted to fall under the category "Not known precedent reproductive and developmental toxic potential".

Executive summary:

The potential of the test material to cause reproductive or developmental toxicity was modelled using the OECD QSAR Toolbox. This QSAR model is based on profiling results obtained by DART scheme v 1.0. This QSAR is used for identifying chemicals with structural features associated with the potential to act as reproductive or developmental toxicants.

Toxicity of the target chemical was predicted by QSAR "Developmental and Reproductive Toxicity (DART)". The target chemical was predicted to fall under the category "Not known precedent reproductive and developmental toxic potential".