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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
in vitro gene mutation study in bacteria
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
Please refer to QPRF/QMRF documentation for detailed information on model suitability.

Data source

Reference
Reference Type:
other: Modeling software
Title:
Chemistry Central Journal
Author:
Ferrari T., Gini G.
Year:
2010
Bibliographic source:
2010, 4(Suppl 1):S2 (29 July 2010)

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: REACH Guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals
Version / remarks:
May 2008
GLP compliance:
no
Type of assay:
other: QSAR calculation

Test material

Constituent 1
Chemical structure
Reference substance name:
N-(carbamoylmethyl)taurine
EC Number:
230-908-4
EC Name:
N-(carbamoylmethyl)taurine
Cas Number:
7365-82-4
Molecular formula:
C4H10N2O4S
IUPAC Name:
N-(carbamoylmethyl)taurine
Test material form:
solid
Specific details on test material used for the study:
SMILES: O=C(N)CNCCS(=O)(=O)O

Method

Species / strain
Species / strain / cell type:
bacteria, other: modeling based on bacteria
Metabolic activation:
not applicable

Results and discussion

Test results
Key result
Species / strain:
bacteria, other: modeling based on bacteria
Metabolic activation:
not applicable
Genotoxicity:
negative
Cytotoxicity / choice of top concentrations:
not specified
Vehicle controls validity:
not examined
Untreated negative controls validity:
not examined
Positive controls validity:
not examined
Remarks on result:
other: QSAR Modeling predicition
Remarks:
Negative for mutagenicity.

Any other information on results incl. tables

See QPRF/QMRF

Applicant's summary and conclusion

Conclusions:
The CAESAR model within the VEGA QSAR software predicted that N-(carbamoylmethyl) taurine is not mutagenic.
Executive summary:

The CAESAR model within the VEGA QSAR software predicted that N-(carbamoylmethyl) taurine is not mutagenic.