Registration Dossier
Registration Dossier
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EC number: 915-008-8 | CAS number: -
Genetic toxicity: in vitro
Administrative data
- Endpoint:
- in vitro gene mutation study in bacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- 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
VEGA v1.4.4
2. MODEL (incl. version number)
Mutagenicity (Ames test) model (CONSENSUS) 1.0.2.
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
DTPA = C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)OC(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
[Explain how the model fulfils the OECD principles for (Q)SAR model validation. Consider attaching the QMRF or providing a link]
See attached QMRF
5. APPLICABILITY DOMAIN
[Explain how the substance falls within the applicability domain of the model]
See attached QMRF
6. ADEQUACY OF THE RESULT
[Explain how the prediction fits the purpose of classification and labelling and/or risk assessment]
An in-vitro gene mutation study in bacteria is required for REACH dossiers in the 1-10 tonnage band. This QSAR provides a prediciton for this endpoint.
Data source
Reference
- Reference Type:
- publication
- Title:
- An open source multistep model to predict mutagenicity from statistical analysis and relevant structural alerts
- Author:
- Thomas Ferrari
Giuseppina Gini - Year:
- 2 010
- Bibliographic source:
- Chemistry Central Journal20104(Suppl 1):S2
Materials and methods
Test guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
Test material
- Reference substance name:
- N-carboxymethyliminobis(ethylenenitrilo)tetra(acetic acid)
- EC Number:
- 200-652-8
- EC Name:
- N-carboxymethyliminobis(ethylenenitrilo)tetra(acetic acid)
- Cas Number:
- 67-43-6
- Molecular formula:
- C14H23N3O10
- IUPAC Name:
- N,N-bis{2-[bis(carboxymethyl)amino]ethyl}glycine
Constituent 1
- Specific details on test material used for the study:
- SMILES: C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O
Results and discussion
- Remarks on result:
- no mutagenic potential (based on QSAR/QSPR prediction)
Applicant's summary and conclusion
- Conclusions:
- Based on the CAESAR model for Mutagenicity (Ames test) v2.1.13, DTPA is non-mutagenic.
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