N-(2-hydroxypropyl)benzenesulphonamide

Genetic toxicity: in vivo

Administrative data

Endpoint:

genetic toxicity in vivo, other

Type of information:

(Q)SAR

Remarks:

QSAR Toolbox gives a Qualitative prediction of in vivo Chromosome aberration .

Adequacy of study:

key study

Study period:

2017

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

Data source

Reference

Reference Type:

other: Software

Title:

Unnamed

Year:

2012

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

other: Guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals, May 2008

Deviations:

no

Principles of method if other than guideline:

The data are taken from the: ECHA CHEM database on Genetic Toxicity.

GLP compliance:

no

Type of assay:

other: QSAR/ read across modeled data

Test material

Test material information

Constituent 1

Reference substance name:

N-(2-hydroxypropyl)benzenesulphonamide

EC Number:

252-512-0

EC Name:

N-(2-hydroxypropyl)benzenesulphonamide

Cas Number:

35325-02-1

Molecular formula:

C9H13NO3S

IUPAC Name:

N-(2-hydroxypropyl)benzenesulphonamide

Test material form:

liquid: viscous

Test animals

Details on species / strain selection:

Experimantal data were retrieved from differnt test animas ( Chinese hamster, mouse, rat)

Administration / exposure

Route of administration:

oral: unspecified

Results and discussion

Test results

Key result

Genotoxicity:

negative

Remarks on result:

other: in vivo chromosome aberration based on QSARtoolbox

Additional information on results:

-prediction approach: read across among category members Experimental values for the target substance (if any) were not used in prediction calculations
- calculation approach: Taking highest mode value from the 5 nearest neighbours
- descriptor: log Kow N-n-(hydroxylpropyl) benzenesulphoneamide : 0.280
-Prediction confidence: 100.0%; 20 of 20 neighbours' data points have experimental value equal to prediction "Negative"
- predicted value "in vivo chromosome aberration= negative" corresponds to "negative " on the scale of "negative, positive and there were no statistical significant changes”.
- Profiling results for the target substance: DNA binding by OASISv 1.2: No alert found, DNA binding by OECD: No alertfound, Estrogen Receptor Binding: No binder, without OH or NH2 group, OECD HPV Chemical Categories: Not categorized, Protein binding by OASIS v1.2: No alert found, Protein binding by OECD; No alert found, Protein Binding Potency: Not possible to classify according to these rules, Superfragments: No superfragment, Toxic hazard classification by Cramer (original) High( classIII), Toxic hazard classification by Cramer (with extension)High (class III), US-EPA New Chemical Categories: Not categorized

Any other information on results incl. tables

	Endpoints	Descriptor
	in vivo chromosome aberration	log Kow
Target chemical		0.280
chemical No 1 cas 79 -10 -7	negative	0.440
chemical No 2 cas 7237 -83 -4	negative	0.120
chemical No 3 cas 872 -50 -4	negative	-0.110
chemical No 4 cas 7195-44 -0	negative	0.740
chemical No 5 cas 110 -71 -4	negative	-0.210
chemical No 6 cas 122 -99 -6	negative	1.10
chemical No 7 cas 15214 -89 -8	negative	-0.610
chemical No 8 cas 57 -55 -6	negative	-0.780
chemical No 9 cas 109 -86 -4	negative	-0.910
chemical No 10 cas 55 -63 -0	negative	1.51

Applicant's summary and conclusion

Conclusions:

Interpretation of results (migrated information):
negative

The predicted value for N-n-(2-hydroxypropyl)benzenesulphonamide for the in vivo chromosome aberration test was negative, using the OECD QSARtoolbox .

Executive summary:

For the determination of the in vivo chromosome aberration potential of N-n-(2 -hydroxypropyl)benzenesulphonamide the OECD QSAR toolbox was used. For the prediction read-across among category members was applied and 5 nearest neighbours (compounds with CAS n° 79 -10 -7, 7237 -83 -4, 872 -50 -4, 7195 -44 -0,110 -71 -4) were taken. Log Kow was taken into account as descriptor. For the target compound, log Kow is 0.280 and the 5 neighbours were within the log Kow range of -0.211 -0.741.