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Toxicological information

Basic toxicokinetics

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Administrative data

Endpoint:
basic toxicokinetics, other
Remarks:
QSAR Assessment
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
Justification for type of information:
EC No. 410-560-1 is structually similar to the training set contains compounds, the training set contains compounds featuring cyclic moieties, including aromatic and heterocyclic ones, polar hydrogen-bonding groups like amines and hydroxyl groups. The training set contains compounds of relatively similar size to the studied molecule.

Data source

Reference
Reference Type:
other: QSAR report
Title:
Unnamed
Year:
2015

Materials and methods

Objective of study:
other: Protein-binding
Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
EU Method B.36 (Toxicokinetics)
Version / remarks:
Annex 8.8.1
Qualifier:
according to guideline
Guideline:
OECD Guideline 417 (Toxicokinetics)

Test material

Constituent 1
Chemical structure
Reference substance name:
2-[4-[2-Hydroxy-3-tridecyloxypropyl]oxy]-2-hydroxyphenyl]-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine
Molecular formula:
C41H55N3O4
IUPAC Name:
2-[4-[2-Hydroxy-3-tridecyloxypropyl]oxy]-2-hydroxyphenyl]-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine
Constituent 2
Chemical structure
Reference substance name:
2-[4-[2-Hydroxy-3-dodecyloxypropyl]oxy]-2-hydroxyphenyl]-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine
Molecular formula:
C40H53N3O4
IUPAC Name:
2-[4-[2-Hydroxy-3-dodecyloxypropyl]oxy]-2-hydroxyphenyl]-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine
Constituent 3
Chemical structure
Reference substance name:
2-[4-[2-Hydroxy-3-butadecyloxypropyl]oxy]-2-hydroxyphenyl]-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine
Molecular formula:
C42H57N3O4
IUPAC Name:
2-[4-[2-Hydroxy-3-butadecyloxypropyl]oxy]-2-hydroxyphenyl]-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine
Constituent 4
Chemical structure
Reference substance name:
2-[4-[2-Hydroxy-3-undecyloxypropyl]oxy]-2-hydroxyphenyl]-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine
Molecular formula:
C39H51N3O4
IUPAC Name:
2-[4-[2-Hydroxy-3-undecyloxypropyl]oxy]-2-hydroxyphenyl]-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine
Constituent 5
Chemical structure
Reference substance name:
2-[4-[2-Hydroxy-3-decyloxypropyl]oxy]-2-hydroxyphenyl]-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine
Molecular formula:
C38H49N3O4
IUPAC Name:
2-[4-[2-Hydroxy-3-decyloxypropyl]oxy]-2-hydroxyphenyl]-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine
impurity 1
Chemical structure
Reference substance name:
1,3-Benzenediol, 4-(4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl)-
Cas Number:
1668-53-7
Molecular formula:
C25H23N3O2
IUPAC Name:
1,3-Benzenediol, 4-(4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl)-
impurity 2
Chemical structure
Reference substance name:
2-[4-[(2-Hydroxy-3-nonanyloxypropyl)oxy]-2-hydroxyphenyl]-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine
Cas Number:
not available
Molecular formula:
C37H47N3O4
IUPAC Name:
2-[4-[(2-Hydroxy-3-nonanyloxypropyl)oxy]-2-hydroxyphenyl]-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine
impurity 3
Reference substance name:
unknown impurities
Molecular formula:
unknown impurities
IUPAC Name:
unknown impurities
Test material form:
liquid: viscous
Specific details on test material used for the study:
CAS No.: 65277-42-1
CAS No.: 130-95-0
CAS No.: 84625-61-6

Results and discussion

Applicant's summary and conclusion

Conclusions:
The predicted protein binding value for the substance is the weighted average of the values of all the components including the known impurities. The prediction indicates that the studied UVCB substance is strongly binding.