5-hydroxyiminobarbituric acid

Endpoint summary

Description of key information

Acute oral toxicity (LD50) of the target substance 5-hydroxyiminobarbituric acid were predicted using two QSAR applications, the OECD toolbox and the Danish QSAR database.

The OECD Toolbox predicted an oral LD50 value of 4570 mg/kg which do not meet the classification criteria. However, using the Danish QSAR database an LD50 value of 1300 mg/kg in rats (reliability index 0.34) and 1800 mg/kg in mice (reliability index 0.15) were obtained.

Due to lack of consistency and low reliability, data are not considered sufficient for a classification decision. However, there are no immediate alerts for acute toxicity of violuric acid.

See also QSAR summary attached in section 13.2

Key value for chemical safety assessment

Acute toxicity: via oral route

Link to relevant study records

Reference

Reference 1

Endpoint:

acute toxicity: oral

Type of information:

(Q)SAR

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Justification for type of information:

OECD Toolbox Version 4.1. The toolbox is a software application to identify and fill (eco)toxicology data gaps for chemical hazard assessment. The toolbox is developed in cooperation with OECD and ECHA. For reference see www.qsartoolbox.org

Guideline:

other: REACH Guidance on QSARs R.6.

Specific details on test material used for the study:

SMILES: ON=C1C(=O)NC(=O)NC1=O

Dose descriptor:

LD50

Effect level:

ca. 4 570 mg/kg bw

Remarks on result:

other:

Remarks:

QSAR predicted value

The OECD Toolbox version 4.1. was used for prediction of acute toxicity (LD50) and read-across were performed from related substances. Only the result in the applicability domain is accepted. The predicted LD 50 for the target substance 5-hydroxyiminobarbituric acid was 4570 mg/kg.

Thus, the QSAR prediction does not indicate alert for acute toxicity in relation to classification.

Interpretation of results:

study cannot be used for classification

Conclusions:

Test substance is not acute toxic based on OECD Toolbox prediction and read-across

Executive summary:

The OECD Toolbox version 4.1. was used for prediction of acute toxicity (LD50) and read-across were performed from related substances. Only the result in the applicability domain is accepted. The predicted LD 50 for the target substance 5-hydroxyiminobarbituric acid was 4570 mg/kg. Thus, the QSAR prediction does not indicate alert for acute toxicity in relation to classification.

Reference 2

Endpoint:

acute toxicity: oral

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Justification for type of information:

Danish QSAR database is a software application to identify and fill (eco)toxicology data gaps for chemical hazard assessment. For reference see http://qsar.food.dtu.dk/

Guideline:

other: REACH Guidance on QSARs R.6.

Specific details on test material used for the study:

SMILES: C1(=O)C(=NO)C(=O)NC(=O)N1

Dose descriptor:

LD50

Effect level:

>= 1 300 - <= 1 800 mg/kg bw

Remarks on result:

other: Rat (1300 mg/kg bw) and mouse (1800 mg/kg bw)

Remarks:

QSAR predicted value

The Danish QSAR database was used for prediction of acute toxicity (LD50) and read-across were performed from related substances. The predicted LD50 for the target substance 5 -hydroxyiminobarbituric acid was 1300 mg/kg in rats (reliability index 0.34) and 1800 mg/kg in mice (reliability index 0.15).

Interpretation of results:

study cannot be used for classification

Conclusions:

Acute toxicity test of the test substance is non-conclusive due to low prediction reliability score given by the model..

Executive summary:

The Danish QSAR database was used for prediction of acute oral toxicity (LD50) using ACD/ ToxSuite 2.95 software. The predicted LD50 for the target substance 5-hydroxyiminobarbituric acid was 1300 mg/kg in rats (reliability index 0.34) and 1800 mg/kg in mice (reliability index 0.15). Both the predictions were of poor quality reliability, i.e index: <0.3 = not reliable prediction quality and 0.3-0.5 = borderline prediction quality. Therefore, the results are non-conclusive.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed

Quality of whole database:

Non-conclusive.
Too weak evidence to make conclusions upon. In vivo testing needed (OECD 423).

Acute toxicity: via inhalation route

Endpoint conclusion

Endpoint conclusion:

no study available

Acute toxicity: via dermal route

Endpoint conclusion

Endpoint conclusion:

no study available

Justification for classification or non-classification

The results from the two QSAR predictions are non-conclusive and too weak evidence to make conclusions upon. In vivo testing is needed and already in progress (OECD 423).