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EC number: 201-497-9 | CAS number: 83-73-8
Developmental toxicity / teratogenicity
Administrative data
- Endpoint:
- developmental toxicity
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- 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 83-73-8
- 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:
- Prediction is done using QSAR Toolbox version 2.3.
- GLP compliance:
- no
Test material
- Reference substance name:
- Diiodohydroxyquinoline
- EC Number:
- 201-497-9
- EC Name:
- Diiodohydroxyquinoline
- Cas Number:
- 83-73-8
- Molecular formula:
- C9H5I2NO
- IUPAC Name:
- 5,7-diiodoquinolin-8-ol
- Details on test material:
- - Name of test material: diiodohydroxyquinoline
- Molecular formula: C9H5I2NO
- Molecular weight: 396.95
- Substance type: organic
- Physical state: solid
Constituent 1
Test animals
- Species:
- other: Rattus norvegicus;Oryctolagus cuniculus
- Strain:
- not specified
Administration / exposure
- Route of administration:
- other: no data
- Type of inhalation exposure (if applicable):
- not specified
- Vehicle:
- not specified
- Analytical verification of doses or concentrations:
- not specified
Results and discussion
Results: maternal animals
Effect levels (maternal animals)
- Dose descriptor:
- other: not specified
- Based on:
- not specified
- Basis for effect level:
- other: not specified
- Remarks on result:
- other: not specified
Maternal abnormalities
- Abnormalities:
- not specified
- Localisation:
- not specified
- Description (incidence and severity):
- not specified
Results (fetuses)
- Details on embryotoxic / teratogenic effects:
- Embryotoxic / teratogenic effects:no data
Effect levels (fetuses)
- Dose descriptor:
- LOEL
- Effect level:
- 640.989 mg/kg bw/day
- Based on:
- test mat.
- Basis for effect level:
- other: fetotoxicity
Fetal abnormalities
- Abnormalities:
- not specified
- Localisation:
- other: not specified
- Description (incidence and severity):
- not specified
Overall developmental toxicity
- Developmental effects observed:
- not specified
- Treatment related:
- 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 (
not "c")
)
)
and ("d"
and "e" )
)
Domain
logical expression index: "a"
Similarity
boundary:Target:
c1(I)c(O)c2c(c(I)c1)cccn2
Threshold=50%,
Dice(Atom pairs)
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OASIS
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as alpha,beta-carbonyl compounds
with polarized double bonds OR alpha-activated haloalkanes OR Carbamates
OR MA: Direct acylation involving a leaving group OR MA: Michael
addition on conjugated systems with electron withdrawing group OR MA:
Nucleophilic substitution at sp3 Carbon atom OR MA: Pyrazolones and
pyrazolidinones derivatives OR Mechanistic Domain: Acylation OR
Mechanistic Domain: Michael addition OR Mechanistic Domain: Schiff base
formation OR Mechanistic Domain: SN2 OR N-acylamides OR Pyrazolones and
pyrazolidinones by Protein binding by OASIS
Domain
logical expression index: "d"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 3.02
Domain
logical expression index: "e"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 4.83
Applicant's summary and conclusion
- Conclusions:
- The fetotoxicity LOEL (Lowest observed effect level) of diiodohydroxyquinoline in Rattus norvegicus and Oryctolagus cuniculus was observed at a dose concentration of 640.9886 mg/kg bw/day.This indicates that diiodohydroxyquinoline shall not exhibit toxic effect to Rattus norvegicus and Oryctolagus cuniculus below the above mentioned dose.
- Executive summary:
The fetotoxicity LOEL (Lowest observed effect level) of diiodohydroxyquinoline in Rattus norvegicus and Oryctolagus cuniculus was observed at a dose concentration of 640.9886 mg/kg bw/day.This indicates that diiodohydroxyquinoline shall not exhibit toxic effect to Rattus norvegicus and Oryctolagus cuniculus below the above mentioned dose.
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