Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
eye irritation, other
Remarks:
QSAR
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Data source

Reference
Title:
Derek Nexus 6.1
Year:
2020
Bibliographic source:
Derek for Windows

Materials and methods

Principles of method if other than guideline:
- Software tool(s) used including version: Derek Nexus 6.1
- Model(s) used: Derek for Windows - Eye Irritation
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Justification for type of information', 'Attached justification' and/or 'Cross-reference'
GLP compliance:
no

Test material

1
Chemical structure
Reference substance name:
(S)-3-(tert-butylamino)propane-1,2-diol
EC Number:
250-125-1
EC Name:
(S)-3-(tert-butylamino)propane-1,2-diol
Cas Number:
30315-46-9
Molecular formula:
C7H17NO2
IUPAC Name:
(2S)-3-(tert-butylamino)propane-1,2-diol
Test material form:
solid: particulate/powder

Results and discussion

In vivo

Results
Irritation parameter:
other: alert for irritation
Remarks on result:
other: no alert

Applicant's summary and conclusion

Interpretation of results:
other: no alert
Conclusions:
The query structure does not match any structural alerts or examples for eye irritation in Derek.
The substance (2S)-3-(tert-butylamino)propane-1,2-diol falls within the applicability domain described above and therefore, the predicted value can be considered reliable.

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