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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Ecotoxicological information

Short-term toxicity to fish

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Link to relevant study record(s)

Reference
Endpoint:
short-term toxicity to fish
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
Remarks:
Internationally accepted method, EPI-Suite, EPA (USA)
Justification for type of information:
See attached the QMRF and QPRF for the QSAR model.
See also attached the chemical class information document.
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
The ECOSAR User Manual, ECOSAR. A Computer Program for Estimating the Ecotoxicity of Industrial Chemicals (EPA-748-R-93-002)
Estimating Toxicity of Industrial Chemicals to Aquatic Organisms Using Structure Activity Relationships (EPA-748-R-93-001).
ECOSAR v1.11 Methodology Document.
ECOSAR v1.11 Operation Manual.
Specific details on test material used for the study:
SMILES: N1(C(=O)Nc2ccc(Cc3ccc(NC(=O)N4CC4)cc3)cc2)CC1
Test organisms (species):
other: Different fish species
Key result
Duration:
96 h
Dose descriptor:
LC50
Effect conc.:
31.816 mg/L
Nominal / measured:
estimated
Basis for effect:
mortality (fish)
Remarks on result:
other: QSAR predicted value
Sublethal observations / clinical signs:

ECOSAR v1.11 class-specific estimation (substituted ureas) predicted that the test substance has a 96 h-LC50 to fish of 31.816 mg/L.

Validity criteria fulfilled:
not applicable
Conclusions:
The fish 96-h LC50 for the test substance was predicted to be 31.816 mg/l (EPI-Suite, ECOSAR v1.11, substituted ureas).
Executive summary:

The short-term toxicity to fish of the test substance was determined by using EPI-Suite, ECOSAR v1.11 class-specific estimation (substituted ureas). The fish 96-h LC50 for the test substance was predicted to be 31.816 mg/l.

Description of key information

Key Study: Data from EPI-Suite, EPA (USA) / ECOSAR v1.11 class-specific estimation (substituted ureas). The test substance has been determined to have a 96-h LC50 to fish of 31.816 mg/L.

Key value for chemical safety assessment

Fresh water fish

Fresh water fish
Effect concentration:
31.816 mg/L

Additional information

Key Study: The short-term toxicity to fish of the test substance was determined by using EPI-Suite, ECOSAR v1.11 class-specific estimation (substituted ureas). The fish 96-h LC50 for the test substance was predicted to be 31.816 mg/L.