Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
in vitro gene mutation study in bacteria
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification

Data source

Reference
Reference Type:
other: prediction
Title:
QSAR prediction of benzyl-paroxetine base
Author:
Gedeon Richter Plc.
Year:
2016
Bibliographic source:
QSAR Toolbox

Materials and methods

Test guideline
Qualifier:
no guideline required
Principles of method if other than guideline:
QSAR

Test material

Constituent 1
Chemical structure
Reference substance name:
(3S,4R)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-1-benzyl-4-(4-fluorophenyl)piperidine
EC Number:
929-011-7
Molecular formula:
C26H26FNO3
IUPAC Name:
(3S,4R)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-1-benzyl-4-(4-fluorophenyl)piperidine

Results and discussion

Test resultsopen allclose all
Species / strain:
S. typhimurium TA 1535
Metabolic activation:
with and without
Species / strain:
S. typhimurium TA 1537
Metabolic activation:
with and without
Species / strain:
S. typhimurium TA 97
Metabolic activation:
with and without
Species / strain:
S. typhimurium TA 100
Metabolic activation:
with and without
Remarks on result:
no mutagenic potential (based on QSAR/QSPR prediction)

Applicant's summary and conclusion