Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
skin sensitisation: in vivo (LLNA)
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 study:
mouse local lymph node assay (LLNA)

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

In vivo (LLNA)

Results
Parameter:
EC3
Value:
28.5
Remarks on result:
other: Database: Skin sensitisation

Any other information on results incl. tables

Software Method Endpoint Alert Predicted value
ChemProp Enoch et al Skin Sensitisation No Structural Alerts were found. Not active
Toxtree Skin sensitisation reactivity domains Skin Sensitisation No Structural Alerts were found. No alerts

Applicant's summary and conclusion

Interpretation of results:
GHS criteria not met
Conclusions:
According to (Q)SAR modells: QSAR Toolbox, Toxtree, ChemProp, the predicted values indicated that Alpha-ethyl pseudo adduct base is not sensitiser. The result meets the requirement of No Hazard Category.