Registration Dossier
Registration Dossier
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EC number: 921-798-5 | CAS number: -
Genetic toxicity: in vitro
Administrative data
- Endpoint:
- genetic toxicity in vitro
- Remarks:
- Type of genotoxicity: gene mutation
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- publication
- Title:
- Unnamed
- Report date:
- 2015
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on QSARs R.6, May/July 2008
- Type of assay:
- other: QSAR
Test material
- Reference substance name:
- 2,5-Dihydroxy-3,6-dimethyl-3,6-bis(dihydroxyphosphinyl)- 1,4,2,5-dioxadiphosphorinane-2,5-dioxide
- EC Number:
- 921-798-5
- Cas Number:
- 32421-74-2
- Molecular formula:
- C4H12O12P4
- IUPAC Name:
- 2,5-Dihydroxy-3,6-dimethyl-3,6-bis(dihydroxyphosphinyl)- 1,4,2,5-dioxadiphosphorinane-2,5-dioxide
- Reference substance name:
- O=P1(O)OC(C)(P(=O)(O)O)P(=O)(O)OC1(C)P(=O)(O)O
- IUPAC Name:
- O=P1(O)OC(C)(P(=O)(O)O)P(=O)(O)OC1(C)P(=O)(O)O
- Details on test material:
- - Chemical name: ADPA
- Structural formula: C4H12O12P4
- SMILES: O=P1(O)OC(C)(P(=O)(O)O)P(=O)(O)OC1(C)P(=O)(O)O
- InChI: InChI=1S/C4H12O12P4/c1-3(17(5,6)7)15-20(13,14)4(2,18(8,9)10)16-19(3,11)12/h1-2H3,(H,11,12)(H,13,14)(H2,5,6,7)(H2,8,9,10)
Constituent 1
Constituent 2
Results and discussion
Test results
- Species / strain:
- other: Salmonella (composite)
- Metabolic activation:
- not applicable
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- not determined
- Additional information on results:
- ADPA is predicted by ACD/Percepta as negative for microbial in vitro Salmonella (composite) gene mutation assay. The prediction is considered reliable.
Applicant's summary and conclusion
- Conclusions:
- ACD/Percepta predicted ADPA as negative for microbial in vitro Salmonella Assay. The prediction is considered high reliable. Based on these results, ADPA is considered as not mutagenic in bacteria.
- Executive summary:
Gene mutation of the targets was estimated by using four predictors: Leadscope, ACD/Percepta, Vega and Toxtree decision rule system. The four predictors were employed in order to apply a consensus approach to enhance the reliability of the predictions. In the consensus assessment only reliable predictions are to be taken into account. In the case of the target chemical ADPA, Leadscope, Vega and Toxtree predictions resulted to be not reliable, while ACD/Percepta predictions resulted highly reliable. Thus, based on ACD/Percepta predictions, it was concluded that ADPA is NEGATIVE for microbial in vitro Salmonella. This prediction is supported by the absence of structural alerts for mutagenicity.
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