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Toxicological information

Toxicity to reproduction

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Administrative data

Endpoint:
two-generation reproductive toxicity
Remarks:
based on test type (migrated information)
Type of information:
(Q)SAR
Adequacy of study:
supporting 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: QSAR Toolbox 2.3.0.1132 prediction for "Relative ERBA" read across evaluation for 85-73-4
Author:
Sustainability Support Services (Europe) AB
Year:
2012
Bibliographic source:
QSAR Toolbox version 2.3

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
other: estimated data
Principles of method if other than guideline:
Prediction is done using QSAR Toolbox version 2.3.
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
other: Amorphous
Details on test material:
- Name of test material : phthalylsulfathiazole
- Molecular formula : C17H13N3O5S2
- Substance type: Organic
- Physical state: Solid

Test animals

Species:
other: lamb;NoAssay;Rat;human
Strain:
not specified
Sex:
not specified

Administration / exposure

Route of administration:
oral: unspecified
Type of inhalation exposure (if applicable):
not specified
Vehicle:
not specified

Results and discussion

Results: P0 (first parental animals)

Effect levels (P0)

Dose descriptor:
other: "Relative ERBA"
Effect level:
0.032
Based on:
test mat.
Sex:
not specified
Basis for effect level:
other: not specified
Remarks on result:
other: not specified

Target system / organ toxicity (P0)

Critical effects observed:
not specified
System:
other: not specified
Organ:
not specified

Results: F2 generation

Effect levels (F2)

Dose descriptor:
other: not specified
Generation:
other: not specified
Based on:
not specified
Sex:
not specified
Basis for effect level:
other: not specified
Remarks on result:
other: not specified

Target system / organ toxicity (F2)

Critical effects observed:
not specified
System:
other: not specified
Organ:
not specified

Overall reproductive toxicity

Reproductive effects observed:
not specified
Treatment related:
not specified

Any other information on results incl. tables

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

(((((("a" and "b" ) and ("c" and ( not "d") ) ) and "e" ) and "f" ) and "g" ) and ("h" and "i" ) )

Domain logical expression index: "a"

Similarity boundary:Target: C(=O)(O)c1c(C(=O)Nc2ccc(S(=O)(=O)NC3=NC=CS3)cc2)cccc1
Threshold=50%,
Dice(Atom pairs)

Domain logical expression index: "b"

Similarity boundary:Target: C(=O)(O)c1c(C(=O)Nc2ccc(S(=O)(=O)NC3=NC=CS3)cc2)cccc1
Threshold=60%,
Dice(Atom pairs)

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Acetates AND MA: Direct Acylation Involving a Leaving group AND Mechanistic Domain: Acylation by Protein binding by OECD

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Acyl halides (including benzyl and carbamoyl deriv.) OR Allyl acetates and related chemicals OR MA: Direct Acting Schiff Base Formers OR MA: Polarised Alkenes OR MA: Quinones and Quinone-type Chemicals OR MA: SN2 reaction at a nitrogen atom OR MA: SN2 reaction at a sulphur atom OR MA: SN2 reaction at sp3 carbon atom OR Mechanistic Domain: Michael addition OR Mechanistic Domain: Schiff Base Formers OR Mechanistic Domain: SN2 OR Mono-carbonyls OR Nitrosoureas (carbon) OR Nitrosoureas (nitrogen) OR No alert found OR Polarised alkene - nitro OR Pyranones (and related nitrogen chemicals) OR Quinone-diimine OR Sulfoxides of disulfides by Protein binding by OECD

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as No superfragment by Superfragments

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as High (Class III) by Toxic hazard classification by Cramer (original)

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as Class 3 (unspecific reactivity) by Acute aquatic toxicity classification by Verhaar

Domain logical expression index: "h"

Parametric boundary:The target chemical should have a value of log Kow which is >= 2.12

Domain logical expression index: "i"

Parametric boundary:The target chemical should have a value of log Kow which is <= 2.92

Applicant's summary and conclusion

Conclusions:
The relative ERBA score for phthalylsulfathiazole was estimated to be 0.032
Executive summary:

The relative ERBA score for phthalylsulfathiazole was estimated to be 0.032