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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Administrative data

Endpoint:
short-term toxicity to aquatic invertebrates
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
Justification for type of information:
1. SOFTWARE
EPISuite

2. MODEL (incl. version number)
ECOSAR Version 1.11

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CCN1CCN(C(=O)NC(C(=O)(O))c2ccc(O)cc2)C(=O)C1(=O)

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
- Defined endpoint: Short term aquatic invertebrates, Daphnid
ECOSAR v1.11 Class-specific Estimations
--------------------------------------
Phenols-acid
Carbonyl Ureas -acid

Data source

Reference
Reference Type:
other: QSAR model
Title:
EPI Suite v 4.1/ECOSARv1.11
Author:
US EPA
Year:
2011
Bibliographic source:
http://epa.gov/oppt/exposure/pubs/episuite.htm

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: REACH Guidance on QSARs R.6
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
(R)-(-)-alpha-[[(4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]-4-hydroxybenzeneacetic acid
EC Number:
625-629-3
Cas Number:
62893-24-7
Molecular formula:
C15H17N3O6
IUPAC Name:
(R)-(-)-alpha-[[(4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]-4-hydroxybenzeneacetic acid
Test material form:
solid: crystalline

Test organisms

Test organisms (species):
Daphnia sp.

Results and discussion

Effect concentrations
Duration:
48 h
Dose descriptor:
LC50
Effect conc.:
1 677.822 mg/L
Nominal / measured:
estimated
Conc. based on:
not specified
Basis for effect:
not specified
Remarks on result:
not determinable because of methodological limitations

Applicant's summary and conclusion

Conclusions:
LC50 (48h) 1677.822 is estimated.