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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 (Q)SAR model, with limited documentation / justification
Justification for type of information:
QSAR Prediction

Data source

Reference
Reference Type:
other: Predicted data
Title:
Unnamed
Year:
2015

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: REACH guidance on QSARs R.6, May/July2008
GLP compliance:
not specified
Type of assay:
bacterial reverse mutation assay

Test material

Constituent 1
Chemical structure
Reference substance name:
(+)-14-diethoxycarbonyl-1α-ethyl-1,2,3,4,5,6,12,12b-octahydro-indolo-[2,3-a]-tetrahydro-pyranyl-[2,3-c]-quinolizine
EC Number:
692-750-6
Cas Number:
300661-83-0
Molecular formula:
C26H34N2O5
IUPAC Name:
(+)-14-diethoxycarbonyl-1α-ethyl-1,2,3,4,5,6,12,12b-octahydro-indolo-[2,3-a]-tetrahydro-pyranyl-[2,3-c]-quinolizine
Test material form:
solid: crystalline

Results and discussion

Test resultsopen allclose all
Species / strain:
S. typhimurium TA 97
Metabolic activation:
with and without
Genotoxicity:
negative
Cytotoxicity / choice of top concentrations:
not specified
Species / strain:
S. typhimurium TA 100
Metabolic activation:
with and without
Genotoxicity:
negative
Cytotoxicity / choice of top concentrations:
not specified
Species / strain:
S. typhimurium TA 1535
Metabolic activation:
with and without
Genotoxicity:
negative
Cytotoxicity / choice of top concentrations:
not specified
Species / strain:
S. typhimurium TA 1537
Metabolic activation:
with and without
Genotoxicity:
negative
Cytotoxicity / choice of top concentrations:
not specified
Species / strain:
E. coli WP2 uvr A
Metabolic activation:
with and without
Genotoxicity:
negative
Cytotoxicity / choice of top concentrations:
not specified
Remarks on result:
other: Database: Toxicity Japan MHLW

Any other information on results incl. tables

Software Database / Method Endpoint   Predicted value
Toxtree In vitro mutagenicity (Ames test) alerts by ISS Mutagenicity No structural alerts were identified. No alerts for S.typhimurium mutagenicity

Applicant's summary and conclusion

Conclusions:
According to (Q)SAR modells: QSAR Toolbox, Toxtree, the predicted values indicated that alpha-ethyl pseudo adduct base is not mutagen.