Registration Dossier

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:
(4aR,4bS,6aS,7aS,8aS,8bR,8cR)-2-methoxy-4a,6a-dimethyl-4,4a,4b,5,6,6a,7a,8,8a,8b,8c,9-dodecahydrocyclopropa[4,5]cyclopenta[1,2-a]phenanthren-7(3H)-one
EC Number:
607-934-3
Cas Number:
26441-40-7
Molecular formula:
C21H28O2
IUPAC Name:
(4aR,4bS,6aS,7aS,8aS,8bR,8cR)-2-methoxy-4a,6a-dimethyl-4,4a,4b,5,6,6a,7a,8,8a,8b,8c,9-dodecahydrocyclopropa[4,5]cyclopenta[1,2-a]phenanthren-7(3H)-one
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
VegaNIC Skin Sensitisation model (CAESAR) Mutagenicity No structural alerts were identified. NON-mutagen
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, VegaNIC, the predicted values indicated that cyclopropyl-ad-enolether is not mutagen.