5-nitrosalicylic acid

Repeated dose toxicity: inhalation

Administrative data

Endpoint:

sub-chronic toxicity: inhalation

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:

Title:

Estimation for study LOEL for CAS 96-97-9

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:

other: Estimated data

Principles of method if other than guideline:

Prediction is done using QSAR Toolbox version 3.1

GLP compliance:

no

Test material

Test material information

Constituent 1

Reference substance name:

5-nitrosalicylic acid

EC Number:

202-548-8

EC Name:

5-nitrosalicylic acid

Cas Number:

96-97-9

Molecular formula:

C7H5NO5

IUPAC Name:

5-nitrosalicylic acid

Details on test material:

- Name of test material (as cited in study report): 5-nitrosalicylic acid
- Substance type: Organic
- Physical state: solid

Test animals

Species:

mouse

Strain:

B6C3F1

Sex:

male/female

Administration / exposure

Route of administration:

inhalation

Type of inhalation exposure:

whole body

Vehicle:

not specified

Analytical verification of doses or concentrations:

not specified

Duration of treatment / exposure:

90 days

Control animals:

not specified

Results and discussion

Effect levels

Dose descriptor:

LOEL

Effect level:

19.56 other: mg/kg/day

Based on:

test mat.

Sex:

male/female

Basis for effect level:

other: not specified

Remarks on result:

other: not specified

Target system / organ toxicity

Critical effects observed:

not specified

System:

other: not specified

Organ:

not specified

Any other information on results incl. tables

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

((((("a" and "b" )  and "c" )  and "d" )  and "e" )  and ("f" and "g" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Group 14 - Carbon C AND Group 15 - Nitrogen N AND Group 16 - Oxygen O by Chemical elements

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Bioavailable by Lipinski Rule Oasis

Domain logical expression index: "c"

Similarity boundary:Target: C(=O)(O)c1c(O)ccc(N(=O)=O)c1
Threshold=10%,
Dice(Atom centered fragments)

Domain logical expression index: "d"

Similarity boundary:Target: C(=O)(O)c1c(O)ccc(N(=O)=O)c1
Threshold=20%,
Dice(Atom centered fragments)

Domain logical expression index: "e"

Similarity boundary:Target: C(=O)(O)c1c(O)ccc(N(=O)=O)c1
Threshold=30%,
Dice(Atom centered fragments)

Domain logical expression index: "f"

Parametric boundary:The target chemical should have a value of log Kow which is >= 1.81

Domain logical expression index: "g"

Parametric boundary:The target chemical should have a value of log Kow which is <= 3.1

Applicant's summary and conclusion

Conclusions:

The repeated dose toxicity LOEL (Low observed effect level) of 5-nitrosalicylic acid to mouse by the inhalation route was estimated at a dose concentration of 19.56 mg/kg bw/day.On the basis of this LOEL value it is concluded that the test substance is not toxic to mouse by the inhalative route below the above mentioned dose.

Executive summary:

The repeated dose toxicity LOEL (Low observed effect level) of 5-nitrosalicylic acid to mouse by the inhalation route was estimated at a dose concentration of 19.56 mg/kg bw/day.On the basis of this LOEL value it is concluded that the test substance is not toxic to mouse by the inhalative route below the above mentioned dose.

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