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EC number: 209-218-2 | CAS number: 561-41-1
Repeated dose toxicity: inhalation
Administrative data
- Endpoint:
- sub-chronic toxicity: inhalation
- 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 "Effect LOEL" read across evaluation for 561-41-1
- Author:
- Sustainability Support Services (Europe) AB
- Year:
- 2 012
- Bibliographic source:
- QSAR Toolbox Version 2.3
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- 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 substance name:
- 4,4'-bis(dimethylamino)-4''-(methylamino)trityl alcohol
- EC Number:
- 209-218-2
- EC Name:
- 4,4'-bis(dimethylamino)-4''-(methylamino)trityl alcohol
- Cas Number:
- 561-41-1
- Molecular formula:
- C24-H29-N3-O
- IUPAC Name:
- bis[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methanol
- Details on test material:
- SMILES:c1(C(O)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)ccc(NC)cc1
Constituent 1
Test animals
- Species:
- rat
- Strain:
- other: Wistar;no data;F344/N
- Sex:
- male/female
Administration / exposure
- Route of administration:
- inhalation
- Type of inhalation exposure:
- not specified
- Vehicle:
- not specified
Results and discussion
Effect levels
- Dose descriptor:
- LOEL
- Effect level:
- 82.749 mg/kg bw/day (actual dose received)
- Based on:
- test mat.
- Sex:
- male/female
Target system / organ toxicity
- Critical effects observed:
- not specified
Any other information on results incl. tables
The prediction was based on dataset comprised from the following descriptors: "effect 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 >= 4.09
Domain logical expression index: "c"
Parametric boundary:The target chemical should have a value of log Kow which is <= 10.4
Applicant's summary and conclusion
- Conclusions:
- Repeated dose LOEL value on rat by inhalation route is found to be 82.75 mg/kg bw/day.
- Executive summary:
Repeated dose LOEL value on rat by inhalation route is found to be 82.75 mg/kg bw/day.
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