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EC number: 261-858-1 | CAS number: 59690-88-9
Acute Toxicity: oral
Administrative data
- Endpoint:
- acute toxicity: oral
- 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]: 2.68E3 mg/kg bw; Estimation for LD50 for CAS 59690-88-9
- Author:
- Sustainability Support Services (Europe) AB
- Year:
- 2 013
- Bibliographic source:
- QSAR Toolbox version 3.1
Materials and methods
Test guideline
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: OECD Guideline 401 (Acute Oral Toxicity)
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.1
- GLP compliance:
- no
- Test type:
- standard acute method
Test material
- Reference substance name:
- (3-aminophenyl)uronium chloride
- EC Number:
- 261-858-1
- EC Name:
- (3-aminophenyl)uronium chloride
- Cas Number:
- 59690-88-9
- Molecular formula:
- C7H9N3O.ClH
- IUPAC Name:
- (NZ)-3-amino-N-[amino(hydroxy)methylidene]anilinium chloride
- Details on test material:
- SMILES:c1(N)cc(N{+}(.Cl{-})=C(N)O)ccc1
Constituent 1
Test animals
- Species:
- rat
- Strain:
- New Zealand White
- Sex:
- male/female
Administration / exposure
- Route of administration:
- oral: gavage
- Vehicle:
- not specified
- No. of animals per sex per dose:
- 5 animals per sex per dose
Results and discussion
Effect levels
- Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- 2 680.05 mg/kg bw
- Based on:
- test mat.
Any other information on results incl. tables
The prediction was based on dataset comprised from the following descriptors: LD50
Estimation method: Takes average value from the 6 nearest neighbours
Domain logical expression:Result: In Domain
(("a" and "b" ) and ("c" and "d" ) )
Domain logical expression index: "a"
Referential boundary: The target chemical should be classified as Anilines (Acute toxicity) by US-EPA New Chemical Categories
Domain logical expression index: "b"
Similarity boundary:Target: c1(N)cc(N{+}(.Cl{-})=C(N)O)ccc1
Threshold=40%,
Dice(Atom centered fragments)
Domain logical expression index: "c"
Parametric boundary:The target chemical should have a value of logP Multicase which is >= -0.302
Domain logical expression index: "d"
Parametric boundary:The target chemical should have a value of logP Multicase which is <= 1.83
Applicant's summary and conclusion
- Interpretation of results:
- not classified
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- The acute oral median lethal dose (LD50) of (3-aminophenyl)uronium chloride in Rat (Wistar) was estimated to be 2680.05 mg/kg bw. This value indicates that (3-aminophenyl)uronium chloride does not exhibits acute toxicity by the oral route in accordance to the criteria laid down by the CLP regulation.
- Executive summary:
The acute oral median lethal dose (LD50) of (3-aminophenyl)uronium chloride in Rat (Wistar) was estimated to be 2680.05 mg/kg bw. This value indicates that (3-aminophenyl)uronium chloride does not exhibits acute toxicity by the oral route in accordance to the criteria laid down by the CLP regulation.
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