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Toxicological information

Developmental toxicity / teratogenicity

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Administrative data

Endpoint:
developmental toxicity
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: Predicted data
Title:
R: QSAR Toolbox 2.3.0.1132 prediction for LOEL read across evaluation for 561-41-1
Author:
Sustainability Support Services (Europe) AB
Year:
2012
Bibliographic source:
QSAR Toolbox Version 2.3

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
other: Estimated data
Principles of method if other than guideline:
QSAR prediction has be done as suggest by ECHA
GLP compliance:
not specified

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
SMILES:c1(C(O)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)ccc(NC)cc1

Test animals

Species:
other: Rattus norvegicus;Oryctolagus cuniculus

Administration / exposure

Route of administration:
oral: unspecified
Vehicle:
not specified

Results and discussion

Results (fetuses)

Effect levels (fetuses)

Dose descriptor:
LOEL
Effect level:
159.135 mg/kg bw/day
Based on:
test mat.
Basis for effect level:
other: fetotoxicity

Fetal abnormalities

Abnormalities:
not specified

Overall developmental toxicity

Developmental effects observed:
not specified

Any other information on results incl. tables






The prediction was based on dataset comprised from the following descriptors: LOEL
Estimation method: Taking average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain

("a" and ("b" and "c" ) )

Domain logical expression index: "a"

Similarity boundary:Target: c1(C(O)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)ccc(NC)cc1
Threshold=50%,
Dice(Atom pairs)

Domain logical expression index: "b"

Parametric boundary:The target chemical should have a value of log Kow which is >= 4.24

Domain logical expression index: "c"

Parametric boundary:The target chemical should have a value of log Kow which is <= 4.48

Applicant's summary and conclusion

Conclusions:
Fetotoxicity LOEL value for 4,4'-bis(dimethylamino)-4''-(methylamino)trityl alcohol is estimated to be 159.13 mg/Kg bw/day.
Executive summary:

Fetotoxicity LOEL value for 4,4'-bis(dimethylamino)-4''-(methylamino)trityl alcohol is estimated to be 159.13 mg/Kg bw/day.