Registration Dossier

Administrative data

Endpoint:
eye irritation: in vivo
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: Predicted data
Title:
[R]: 16,7; Estimation for MMAS for CAS 119-70-0
Author:
Sustainability Support Services (Europe) AB
Year:
2013
Bibliographic source:
QSAR Toolbox version 3.1

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
other: Estimated data
Principles of method if other than guideline:
The prediction is done by using QSAR Toolbox Version 3.1
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
SMILES:c1(Nc2ccc(N)cc2)c(S(=O)(=O)O)cc(N)cc1

Test animals / tissue source

Species:
rabbit
Strain:
not specified

Test system

Vehicle:
not specified
Duration of treatment / exposure:
1 day
Number of animals or in vitro replicates:
6

Results and discussion

In vivo

Results
Irritation parameter:
other: The modified maximum average score
Basis:
mean
Score:
16.7
Reversibility:
not specified
Remarks on result:
other: MMAS score indicates chemical to be non-irritating to the eyes

Any other information on results incl. tables






The prediction was based on dataset comprised from the following descriptors: MMAS
Estimation method: Takes average value from the 5 nearest neighbours
Domain  logical expression:Result: In Domain

("a" and ("b" and "c" )  )

Domain logical expression index: "a"

Similarity boundary:Target: c1(Nc2ccc(N)cc2)c(S(=O)(=O)O)cc(N)cc1
Threshold=50%,
Dice(Atom pairs)

Domain logical expression index: "b"

Parametric boundary:The target chemical should have a value of Molecular weight which is >= 212 Da

Domain logical expression index: "c"

Parametric boundary:The target chemical should have a value of Molecular weight which is <= 288 Da

Applicant's summary and conclusion

Interpretation of results:
not irritating
Remarks:
Migrated information Criteria used for interpretation of results: EU
Conclusions:
The modified maximum average score (MMAS) for 5-amino-2-(p-aminoanilino)benzenesulphonic acid is estimated to 16.7. Based on this value it can be concluded that 5-amino-2-(p-aminoanilino)benzenesulphonic acid is non -irritating to rabbit eyes as per the criteria of CLP regulation.
Executive summary:

The modified maximum average score (MMAS) for 5-amino-2-(p-aminoanilino)benzenesulphonic acid is estimated to 16.7. Based on this value it can be concluded that 5-amino-2-(p-aminoanilino)benzenesulphonic acid is non -irritating to rabbit eyes as per the criteria of CLP regulation.