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Toxicological information

Toxicity to reproduction

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Administrative data

Endpoint:
reproductive toxicity, other
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
results derived from a (Q)SAR model, with limited documentation / justification

Data source

Referenceopen allclose all

Reference Type:
other: QSAR
Title:
VEGA QSAR Models: Relative Binding Affinity model (IRFMN) 1.0.1
Author:
BASF SE
Year:
2016
Bibliographic source:
QSAR Report
Reference Type:
other: QSAR
Title:
VEGA QSAR Models: Developmental/Reproductive Toxicity library (PG) 1.0.0
Author:
BASF SE
Year:
2016
Bibliographic source:
QSAR Report
Reference Type:
other: QSAR
Title:
VEGA QSAR Models: Developmental Toxicity model (CAESAR) 2.1.7
Author:
BASF SE
Year:
2016
Bibliographic source:
QSAR Report
Reference Type:
other: QSAR
Title:
QSAR Toolbox 3.3.0.152: ER-Binding QSAR
Author:
BASF SE
Year:
2016
Bibliographic source:
QSAR Report

Materials and methods

Principles of method if other than guideline:
The estrogen-receptor binding potential of CAS # 6104-30-9 was assessed in the QSAR Toolbox 3.3.0.152 and the VEGA QSAR Models Relative Binding Affinity model (IRFMN) 1.0.1. The potential of CAS # 6104-30-9 to induce Developmental/Reproductive Toxicity was assessed in the VEGA QSAR Models Developmental/Reproductive Toxicity library (PG) 1.0.0 and the potential of CAS # 6104-30-9 to induce Developmental Toxicity was assessed in the VEGA QSAR Models Developmental Toxicity model (CAESAR) 2.1.7.
GLP compliance:
not specified

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
solid: crystalline

Results and discussion

Overall reproductive toxicity

Reproductive effects observed:
no

Applicant's summary and conclusion

Conclusions:
The estrogen-receptor binding potential of CAS # 6104-30-9 was assessed in the QSAR Toolbox 3.3.0.152 and the VEGA QSAR Models Relative Binding Affinity model (IRFMN) 1.0.1. Both models come to the conclusion that CAS # 6104-30-9 is inactive/ a non-binder towards the ER receptor.

The potential of CAS # 6104-30-9 to induce Developmental/Reproductive Toxicity was assessed in the VEGA QSAR Models Developmental/Reproductive Toxicity library (PG) 1.0.0. The model predicts that CAS# 6104-30- 9 is a NON-Toxicant with regards to Developmental and Reproductive activity.

In addition, the potential of CAS # 6104-30-9 to induce Developmental Toxicity was assessed in the VEGA QSAR Models Developmental Toxicity model (CAESAR) 2.1.7. This models also predicts that CAS # 6104-30-9 is a NON-Toxicant with regards to Developmental toxicity activity.

More details can be obtained from the attached QSAR reports.