Registration Dossier
Registration Dossier
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EC number: 691-722-0 | CAS number: 154477-55-1
Genetic toxicity: in vitro
Administrative data
- Endpoint:
- in vitro gene mutation study in bacteria
- Remarks:
- Type of genotoxicity: gene mutation
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: This kind of reliability is caused by the absence of experimental study and the use of T.E.S.T. system.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- publication
- Title:
- Ames mutagenicity (endpoint)
- Author:
- U.S. Environmental Protection Agency
- Bibliographic source:
- T.E.S.T. v.4.1
- Report date:
- 2014
Materials and methods
Test guideline
- Guideline:
- other: REACH guidance on QSARs R6, May 2008
- Principles of method if other than guideline:
- General model for estimating the mutagenicity based on Ames test.
- Type of assay:
- bacterial reverse mutation assay
Test material
- Reference substance name:
- methyl 2-(4-{4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butanoyl}phenyl)-2-methylpropanoate
- EC Number:
- 691-722-0
- Cas Number:
- 154477-55-1
- Molecular formula:
- C33H39NO4
- IUPAC Name:
- methyl 2-(4-{4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butanoyl}phenyl)-2-methylpropanoate
- Reference substance name:
- Methyl-2-[4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butanoyl]phenyl]-2-methylpropanoate
- IUPAC Name:
- Methyl-2-[4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butanoyl]phenyl]-2-methylpropanoate
- Details on test material:
- SMILE: CC(C)(C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C(=O)OC
InCh: InChI=1S/C33H39NO4/c1-32(2,31(36)38-3)26-18-16-25(17-19-26)30(35)15-10-22-34-23-20-29(21-24-34)33
(37,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29,37H,10,15,20-24H2,1-3H3
Constituent 1
Constituent 2
Results and discussion
Test results
- Genotoxicity:
- negative
- Additional information on results:
- Model assessment:
Prediction is "non mutagen", but the result could be reliable even if only moderately similar compounds with known experimental value in the training set have been found.
Details are provided in attachment on the section: "attached full study report".
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information):
negative
The substance is estimated non-mutagen.
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