Reaction products of 4-Diazo-3,4-dihydro-7-nitro-3-oxo-1-naphthalenesulfonic acid coupled with 7-Amino-4-hydroxy-2-naphthalenesulfonic acid, subsequently chelated with Chromium(3+) and cobalt(3+), further mixed with reaction products of 2,4,6-Trichloro-1,3,5-triazine and Ethanol, 2-[(4-aminophenyl)sulfonyl]-, 1-(hydrogen sulfate), sodium salts

Genetic toxicity: in vitro

Administrative data

Endpoint:

in vitro gene mutation study in bacteria

Type of information:

(Q)SAR

Adequacy of study:

key study

Study period:

January 9, 2020

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

Justification for type of information:

1. SOFTWARE
ACD/TOX and DS/TOPKAT
2. MODEL
ACD/Tox Ames Test module and QSTR model of DS/TOPKAT

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2020

Report date:

2020

Materials and methods

Test guideline

Qualifier:

equivalent or similar to guideline

Guideline:

OECD Guideline 471 (Bacterial Reverse Mutation Assay)

Test material

Test material information

Constituent 1

Reference substance name:

Reaction products of 4-Diazo-3,4-dihydro-7-nitro-3-oxo-1-naphthalenesulfonic acid coupled with 7-Amino-4-hydroxy-2-naphthalenesulfonic acid, subsequently chelated with Chromium(3+) and cobalt(3+), further mixed with reaction products of 2,4,6-Trichloro-1,3,5-triazine and Ethanol, 2-[(4-aminophenyl)sulfonyl]-, 1-(hydrogen sulfate), sodium salts

EC Number:

948-044-8

Molecular formula:

C10H5N3O6S.C10H9NO4S.C2H4O2.1/3Cr.Co.H2O4S.7H2O.C3Cl3N3.C8H11NO6S2.xNa

IUPAC Name:

Reaction products of 4-Diazo-3,4-dihydro-7-nitro-3-oxo-1-naphthalenesulfonic acid coupled with 7-Amino-4-hydroxy-2-naphthalenesulfonic acid, subsequently chelated with Chromium(3+) and cobalt(3+), further mixed with reaction products of 2,4,6-Trichloro-1,3,5-triazine and Ethanol, 2-[(4-aminophenyl)sulfonyl]-, 1-(hydrogen sulfate), sodium salts

Test material form:

solid: particulate/powder

Results and discussion

Test results

Genotoxicity:

positive

Remarks on result:

mutagenic potential (based on QSAR/QSPR prediction)

Applicant's summary and conclusion

Conclusions:

It would be rational to predict both metal complexes 1 and 2 in Everzol SR98 would have genotoxicity, a positive result in Ames Test in a high possibility.

Executive summary:

In this report, we take advantage of ACD/TOX Ames Test result prediction module and DS/TOPKAT Ames Test result QSTR model, respectively, to predict the genotoxicity (Ames Test) of two metal complex components 1 and 2 of Everzol SR98 in combination with corresponding literatures. Althought the coordination agent 3 in both metal complexes was predicted to have a positive Ames Test result in a very low possibility by both ACD/Tox Ames Test and DS/TOPKAT Ames test QSTR models, the literature data indicated that both Cr3+ and Co3+ may have genotoxicity. Therefore, both components 1 and 2 in Everzol SR98 would have a positive result in Ames Test with a high possibility.