Registration Dossier
Registration Dossier
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EC number: 941-924-2 | CAS number: -
Toxicity to reproduction: other studies
Administrative data
- Endpoint:
- toxicity to reproduction: other studies
- Remarks:
- Estrogen Receptor relative binding affinity model (IRFMN) (Version 1.0.0)
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2017
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: QSAR IRFMN
- Version / remarks:
- 1.0.1
- Deviations:
- not applicable
- Principles of method if other than guideline:
- Estrogen Receptor Relative Binding Affinity (RBA) classification model for endocrine disruptor screening based on the model published in A. Roncaglioni, N. Piclin, M. Pintore, E. Benfenati, "Binary classification models for endocrine disrupter effects mediated through the estrogen receptor", SAR and QSAR in Environmental Research (2008), 19, 7-8.
- Type of method:
- other: Qsar
Test material
- Reference substance name:
- TMP Fatty Acids C5-9
- IUPAC Name:
- TMP Fatty Acids C5-9
- Reference substance name:
- C27H50O6
- IUPAC Name:
- C27H50O6
- Reference substance name:
- CCCCC(=O)OCC(CC)(COC(=O)CCCCCC)COC(=O)CCCCCCCC
- IUPAC Name:
- CCCCC(=O)OCC(CC)(COC(=O)CCCCCC)COC(=O)CCCCCCCC
- Details on test material:
- -SMILES : CCCCC(=O)OCC(CC)(COC(=O)CCCCCC)COC(=O)CCCCCCCC
-MOL FOR: C27 H50 O6
-MOL WT : 470.70
Constituent 1
Constituent 2
Constituent 3
Results and discussion
Effect levels
- Dose descriptor:
- other: Estrogen Receptor Relative Binding Affinity
- Remarks on result:
- other: Prediction is Inactive, the result appears reliable.
Applicant's summary and conclusion
- Conclusions:
- The constituent resulted inactive
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