Reaction products of diazotised 4'-aminoazobenzene-4-sulphonic acid, coupled with resorcinol and diazotised sodium 4-aminobenzenesulfonate, sodium salts

Genetic toxicity: in vitro

Administrative data

Endpoint:

in vitro gene mutation study in bacteria

Remarks:

(Q)SAR

Type of information:

(Q)SAR

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Justification for type of information:

SOFTWARE
QSAR DYES R&C
Report produced by version QSAR dyes R&C 2.0
Developed by Milano Chemometrics and QSAR Research Group, Dept. Earth and Environmental
Sciences, University Milano-Bicocca, Italy.
Details about the tool are included into the attachment.

Data source

Reference

Reference Type:

other: (Q)SAR report

Title:

Unnamed

Year:

2016

Materials and methods

Principles of method if other than guideline:

QSAR Prediction. Details on the QSAR model used are reported in the attachment (i.e. (Q)SAR model reporting (QMRF)).

GLP compliance:

no

Type of assay:

other: QSAR prediction

Test material

Test material information

Constituent 1

Reference substance name:

Reaction products of diazotised 4'-aminoazobenzene-4-sulphonic acid, coupled with resorcinol and diazotised sodium 4-aminobenzenesulfonate, sodium salts

EC Number:

612-722-9

Cas Number:

61931-07-5

Molecular formula:

not applicable

IUPAC Name:

Reaction products of diazotised 4'-aminoazobenzene-4-sulphonic acid, coupled with resorcinol and diazotised sodium 4-aminobenzenesulfonate, sodium salts

Test material form:

solid: particulate/powder

Results and discussion

Remarks on result:

no mutagenic potential (based on QSAR/QSPR prediction)

Applicant's summary and conclusion

Conclusions:

The substance is expected to be negative in the mutagenicity AMES assay, on basis of the QSAR prediction.

Executive summary:

The AMES Mutagenicity potential of the substance was investigated using a specific QSAR model, developed to predict the skin AMES Mutagenicity potential for dyes. The existing QSAR models have strong limitations to predict ionic complex structures as the organic dyes are, and consequently they provide unreliable results. The QSAR modelling was developed in accordance with the OECD principles (details in the documentation attached).

Based on the estimation, the substance is expected to be negative in the AMES Mutagenicity assay. The estimation resulted to be in the applicability domain of the model.