C.I. Solvent Blue 43

Short-term toxicity to fish

Administrative data

Endpoint:

short-term toxicity to fish

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: QSAR Toolbox 2.3.0.1132 prediction for LC50 read across evaluation for 61813-75-0

Author:

Sustainability Support Services (Europe) AB

Year:

2012

Bibliographic source:

QSAR Toolbox version 3.2

Materials and methods

Test guideline

Qualifier:

according to guideline

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

Test material information

Constituent 1

Reference substance name:

disodium 4-{[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium 3-{[ethyl({4-[(4-{ethyl[(3-sulfonatophenyl)methyl]amino}cyclohexa-2,5-dien-1-ylidene)(2-sulfonatophenyl)methyl]phenyl})amino]methyl}benzene-1-sulfonate

Cas Number:

61813-75-0

Molecular formula:

C61H70N6S3O9

IUPAC Name:

disodium 4-{[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium 3-{[ethyl({4-[(4-{ethyl[(3-sulfonatophenyl)methyl]amino}cyclohexa-2,5-dien-1-ylidene)(2-sulfonatophenyl)methyl]phenyl})amino]methyl}benzene-1-sulfonate

Constituent 2

Reference substance name:

solvent Blue43

IUPAC Name:

solvent Blue43

Details on test material:

- Name of test material (as cited in study report): solvent Blue 43
- Substance type: Organic
- Physical state: solid

Sampling and analysis

Analytical monitoring:

not specified

Test solutions

Vehicle:

not specified

Test organisms

Test organisms (species):

Pimephales promelas

Study design

Test type:

static

Water media type:

freshwater

Total exposure duration:

96 h

Test conditions

Reference substance (positive control):

not specified

Results and discussion

Effect concentrations

Duration:

96 h

Dose descriptor:

LC50

Effect conc.:

210.737 mg/L

Nominal / measured:

estimated

Conc. based on:

test mat.

Basis for effect:

mortality (fish)

Any other information on results incl. tables

Sublethal observations / clinical signs:

The prediction was based on dataset comprised from the following descriptors: LC50
Estimation method: Taking average value from the 4 nearest neighbours
Domain logical expression:Result: In Domain

("a" and ("b" and "c" ) )

Domain logical expression index: "a"

Similarity boundary:Target: c1(C(c2c(S(=O)(O)=O.N{+})cccc2)=C2C=CC(=N{+}(Cc3cc(S(=O)(=O)O{-}.N{+})ccc3)CC)C=C2)ccc(N(Cc2cc(S(=O)(=O)O{-}.N{+}(C)(C)=C3C=CC(=C(c4ccc(N(C)C)cc4)c4ccc(NC)cc4)C=C3)ccc2)CC)cc1
Threshold=50%,
Dice(Atom pairs)

Domain logical expression index: "b"

Parametric boundary:The target chemical should have a value of log Kow which is >= -1.17

Domain logical expression index: "c"

Parametric boundary:The target chemical should have a value of log Kow which is <= 3.24

Applicant's summary and conclusion

Conclusions:

The 96 hrs. LC50 values of solvent Blue 43 in fish (Pimephales promelas) was estimated to be 210.7366 mg/l on the basis of mortality effect.

Executive summary:

The 96 hrs. LC50 values of solvent Blue 43 in fish (Pimephales promelas) was estimated to be 210.7366 mg/l on the basis of mortality effect.

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