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Acute Toxicity: oral

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Administrative data

Endpoint:
acute toxicity: oral
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
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 3.1 [R]: Estimation for LD50 for CAS 130-13-2
Author:
Sustainability Support Services (Europe) AB
Year:
2013
Bibliographic source:
QSAR Toolbox version 3.1

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 401 (Acute Oral Toxicity)
GLP compliance:
no
Test type:
standard acute method

Test material

Constituent 1
Chemical structure
Reference substance name:
Sodium 4-aminonaphthalene-1-sulphonate
EC Number:
204-975-5
EC Name:
Sodium 4-aminonaphthalene-1-sulphonate
Cas Number:
130-13-2
Molecular formula:
C10H9NO3S.Na
IUPAC Name:
sodium 4-aminonaphthalene-1-sulfonate
Test material form:
solid: crystalline
Details on test material:
-Substance Name :Sodium 4-aminonaphthalene-1-sulphonate
-Molecular Formula : C10H9NO3S.Na
-SMILES:c1(S(=O)(=O)O{-}.[Na]{+})c2c(c(N)cc1)cccc2

Test animals

Species:
rat
Strain:
Wistar
Sex:
not specified

Administration / exposure

Route of administration:
oral: unspecified
Vehicle:
not specified

Results and discussion

Effect levels
Sex:
not specified
Dose descriptor:
LD50
Effect level:
2 230.799 mg/kg bw
Based on:
test mat.
Remarks on result:
other: No acute oral toxicity in low concentrations

Any other information on results incl. tables






The prediction was based on dataset comprised from the following descriptors: LD50
Estimation method: Takes average value from the 6 nearest neighbours
Domain  logical expression:Result: In Domain

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

Domain logical expression index: "a"

Similarity boundary:Target: c1(S(=O)(=O)O{-}.[Na]{+})c2c(c(N)cc1)cccc2
Threshold=50%,
Dice(Atom pairs)

Domain logical expression index: "b"

Similarity boundary:Target: c1(S(=O)(=O)O)c2c(c(N)cc1)cccc2
Threshold=50%,
Dice(Atom pairs)

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as No alert found by Protein binding by OASIS v1.1

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Acylation OR Acylation >> Acyl transfer via nucleophilic addition reaction OR Acylation >> Acyl transfer via nucleophilic addition reaction >> Isocyanates and isothiocyanates OR Acylation >> Direct acylation involving a leaving group OR Acylation >> Direct acylation involving a leaving group >> Acid anhydrides OR Acylation >> Direct acylation involving a leaving group >> N-acylamides OR Michael addition OR Michael addition >> Michael addition on conjugated systems with electron withdrawing group OR Michael addition >> Michael addition on conjugated systems with electron withdrawing group >> alpha,beta-carbonyl compounds with polarized double bonds OR Schiff base formation OR Schiff base formation >> Schiff base formation with carbonyl compounds OR Schiff base formation >> Schiff base formation with carbonyl compounds >> Aldehydes by Protein binding by OASIS v1.1

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as No alert found by Protein binding by OECD

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Acylation OR Acylation >> Direct Acylation Involving a Leaving group OR Acylation >> Direct Acylation Involving a Leaving group >> Acetates by Protein binding by OECD

Domain logical expression index: "g"

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

Domain logical expression index: "h"

Parametric boundary:The target chemical should have a value of log Kow which is >= -6.34

Domain logical expression index: "i"

Parametric boundary:The target chemical should have a value of log Kow which is <= -0.463

Applicant's summary and conclusion

Interpretation of results:
practically nontoxic
Remarks:
Migrated information Criteria used for interpretation of results: EU
Conclusions:
The LD50 value as predicted by the QSAR model was found to be 2230 mg/Kg bw of Rat by the oral route. This value suggests that sodium 4-aminonaphthalene-1-sulphonate shall not exhibit acute toxicity by the oral route within this concentration range
Executive summary:

The LD50 value as predicted by the QSAR model was found to be 2230 mg/Kg bw of Rat by the oral route. This value suggests that sodium 4-aminonaphthalene-1-sulphonate shall not exhibit acute toxicity by the oral route within this concentration range

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