[No public or meaningful name is available]

Developmental toxicity / teratogenicity

Administrative data

Endpoint:

developmental toxicity

Type of information:

(Q)SAR

Adequacy of study:

key study

Study period:

2015

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: see 'Remark'

Remarks:

The following prediction was performed using the OECD QSAR Toolbox by categorising using an appropriate category based on the current endpoint (DART scheme v.1.0). The prediction was further refined from a large database of metadata based on relevant subcategories.

Justification for type of information:

See Read-Across Justification in Section 13.

Cross-reference

Reason / purpose for cross-reference:

other: Target record

Reference

Endpoint:

developmental toxicity

Type of information:

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

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: QSAR conducted on read across material

Justification for type of information:

See Read-Across Justification in Section 13.

Reason / purpose for cross-reference:

read-across source

Dose descriptor:

other: Developmental toxicity potential

Based on:

not specified

Basis for effect level:

other: Not known precedent reproductive and developmental toxic potential.

Remarks on result:

other: The prediction was based on the undefined developmental toxicity potential from 5 experimental values.

Dose descriptor:

other: Developmental toxicity potential

Based on:

not specified

Sex:

not specified

Basis for effect level:

other: Undefined developmental toxicity potential

Remarks on result:

other: The prediction was based on the undefined developmental toxicity potential from 5 experimental values.

Data source

Reference

Reference Type:

other: QSAR

Title:

26.01.2015 09:43 [R]: Not known developmental potential; Estimation for Developmental toxicity

Author:

Anon.

Year:

2015

Bibliographic source:

OECD QSAR Toolbox v 3.3

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.

The prediction was performed using a read-across approach based on analogues within the DART v1.0 category.

GLP compliance:

no

Remarks:

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

Limit test:

no

Test material

Test material information

Constituent 1

Reference substance name:

Not specified in literature reference

IUPAC Name:

Not specified in literature reference

Details on test material:

SMILES:CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)O{-}.[Na]{+})C(=O)O{-}.[Na]{+}

Test animals

Species:

other: QSAR; species not specified

Results and discussion

Results: maternal animals

Effect levels (maternal animals)

Dose descriptor:

other: Developmental toxicity potential

Based on:

not specified

Basis for effect level:

other: developmental toxicity

Remarks on result:

other: The prediction was based on the undefined developmental toxicity potential from 5 experimental values.

Results (fetuses)

Effect levels (fetuses)

Dose descriptor:

other: Developmental toxicity potential

Based on:

not specified

Sex:

not specified

Basis for effect level:

other: Undefined developmental toxicity potential

Remarks on result:

other: The prediction was based on the undefined developmental toxicity potential from 5 experimental values.

Fetal abnormalities

Abnormalities:

not specified

Overall developmental toxicity

Developmental effects observed:

not specified

Any other information on results incl. tables

The prediction was based on dataset comprised from the following descriptors: "Developmental toxicity"
Estimation method: Takes highest mode 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"

Referential boundary: The target chemical should be classified as Not known precedent reproductive and developmental toxic potential by DART scheme v.1.0

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Not categorized by OECD HPV Chemical Categories

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as C9 Aromatics hydrocarbon solvents OR Primary amines OR Secondary amines by OECD HPV Chemical Categories

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Discrete chemical AND Dissociating chemical by Substance Type ONLY

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Extremely fast by Hydrolysis half-life (pH 6.5-7.4) ONLY

Domain logical expression index: "f"

Parametric boundary:The target chemical should have a value of log Kow which is >= -1.02

Domain logical expression index: "g"

Parametric boundary:The target chemical should have a value of log Kow which is <= 1.68

Applicant's summary and conclusion

Conclusions:

Based on the modelled conditions, the substance is categorised as "Not known precedent reproductive and developmental toxic potential".

Executive summary:

The potential of the test material to cause 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.

The prediction was performed using a read-across approach based on analogues within the DART v1.0 category.

Based on the modelled conditions, the substance is categorised as "Not known precedent reproductive and developmental toxic potential". The target chemical falls within the applicability domain of the prediction.