Registration Dossier

Administrative data

Endpoint:
genetic toxicity in vivo
Remarks:
Type of genotoxicity: other: Prediction of chromosome aberration
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Study period:
2011
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Toxtree (version 2.5.0.) modelling tool was developed by IDEA Consult Ltd (Sofia, Bulgaria) and is approved and recommended by the EU Joint Research Center in Ispra (Italy) (LINK: http://ecb.jrc.ec.europa.eu/qsar/qsar-tools/index.php?c=TOXTREE).
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2011
Report date:
2011

Materials and methods

Test guideline
Qualifier:
no guideline required
Principles of method if other than guideline:
Prediction by the Toxtree modelling tool
GLP compliance:
no
Type of assay:
micronucleus assay

Test material

Constituent 1
Reference substance name:
3-(1-Pyridinio)-1-propanesulfonate
IUPAC Name:
3-(1-Pyridinio)-1-propanesulfonate
Constituent 2
Chemical structure
Reference substance name:
1-(3-sulphonatopropyl)pyridinium
EC Number:
239-491-3
EC Name:
1-(3-sulphonatopropyl)pyridinium
Cas Number:
15471-17-7
Molecular formula:
C8H11NO3S
IUPAC Name:
1-(3-sulfopropyl)pyridin-1-ium
Details on test material:
3-(1-Pyridinio)-1-propanesulfonate

Test animals

Species:
other: not applicable

Results and discussion

Test results
Genotoxicity:
other: No alerts for the micronucleus assay (Class II)

Any other information on results incl. tables

Explanation of rules:

QSA1.Acyl halidesNo

QSA2.Alkyl (C5) or benzyl ester of sulphonic or phosphonic acidNo

QSA3.N-methylol derivativesNo

QSA4.MonohaloalkeneNo

QSA5.S or N mustardNo

QSA6.Propiolactones and propiosultonesNo

QSA7.Epoxides and aziridinesNo

QSA8.Aliphatic halogensNo

QSA9.Alkyl nitriteNo

QSA10.α,β unsaturated carbonylsNo

QSA11.Simple aldehydeNo

QSA12.QuinonesNo

QSA13.HydrazineNo

QSA14.Aliphatic azo and azoxyNo

QSA15.Isocyanate and isothiocyanate groupsNo

QSA16.Alkyl carbamate and thiocarbamateNo

QSA18.Polycyclic Aromatic HydrocarbonsNo

QSA19.Heterocyclic Polycyclic Aromatic HydrocarbonsNo

QSA21.Alkyl and aryl N-nitroso groupsNo

QSA22.Azide and triazene groupsNo

QSA23.Aliphatic N-nitroNo

QSA24.α,β unsaturated alkoxyNo

QSA25.Aromatic nitroso groupNo

QSA26.Aromatic ring N-oxideNo

QSA27.Nitro aromaticNo

QSA28.Primary aromatic amine, hydroxyl amine and its derived esters (with restrictions)No

QSA28bis.Aromatic mono- and dialkylamineNo

QSA28ter.Aromatic N-acyl amineNo

QSA29.Aromatic diazoNo

QSA30.Coumarins and FurocoumarinsNo

QSA32.1,3-dialkoxy-benzeneNo

QSA33.1-phenoxy-benzeneNo

QSA34.H-acceptor-path3-H-acceptorNo

QSA35.OxolaneNo

QSA36.CarbodiimidesNo

QAny alert?.At least one alert fired?NoClassNo alerts for the micronucleus assay (Class II)

Applicant's summary and conclusion

Conclusions:
Interpretation of results (migrated information): negative Modelling results
No structural alert was identified for the micronucleus assay.
Executive summary:

Genetic toxicity potential of 3-(1-Pyridinio)-1-propanesulfonate was assessed using the Toxtree (version 2.5.0.) modelling tool . Toxtree was developed by IDEA Consult Ltd (Sofia, Bulgaria) and is approved and recommended by the EU Joint Research Center in Ispra (Italy) (LINK:http://ecb.jrc.ec.europa.eu/qsar/qsar-tools/index.php?c=TOXTREE). According to the modelling results of Toxtree, no structural alerts were identified for 3-(1-Pyridinio)-1-propanesulfonate, which might induce positive response in in-vivo micronucleus assay.