5-amino-2-methoxybenzenesulphonic acid

Repeated dose toxicity: oral

Administrative data

Endpoint:

repeated dose toxicity: oral

Type of information:

migrated information: read-across based on grouping of substances (category approach)

Adequacy of study:

other information

Data source

Reference

Title:

25.11.2017 17:23 [R]: 553 mg/kg bw/day (actual dose received); Estimation for NOAEL for CAS 6470-17-3

Year:

2017

Bibliographic source:

Scientific Committee on Consumer Products (SCCP), 19 December 2006, Opinion on maminophenol COLIPA N° A15

Materials and methods

Principles of method if other than guideline:

In the present range-finding study which followed no guideline, the test article was administered to rats by repeated oral gavage, for a period of 5 days. The aim of this study was to provide a basis to propose dose levels for a 28-day oral toxicity study

GLP compliance:

not specified

Test material

Test material information

Constituent 1

Reference substance name:

5-amino-2-methoxybenzenesulphonic acid

EC Number:

229-291-4

EC Name:

5-amino-2-methoxybenzenesulphonic acid

Cas Number:

6470-17-3

Molecular formula:

C7H9NO4S

IUPAC Name:

5-amino-2-methoxybenzene-1-sulfonic acid

Details on test material:

Name: 5-amino-2-methoxybenzenesulphonic acid
SMILES:O=S(=O)(O)c1c(OC)ccc(N)c1
InChI:1S/C7H9NO4S/c1-12-6-3-2-5(8)4-7(6)13(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)
Molecular Weight: 203.217 g/mole
Mol. formula: C7H9NO4S

Test animals

Species:

rat

Administration / exposure

Route of administration:

oral: gavage

Results and discussion

Effect levels

Dose descriptor:

NOAEL

Effect level:

553 mg/kg bw/day (actual dose received)

Target system / organ toxicity

Critical effects observed:

not specified

Any other information on results incl. tables

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

(((((("a" or "b" or "c" )  and ("d" and ( not "e") )  )  and ("f" and ( not "g") )  )  and ("h" and ( not "i") )  )  and ("j" and ( not "k") )  )  and ("l" and "m" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Anilines (Acute toxicity) by US-EPA New Chemical Categories

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Strong binder, NH2 group by Estrogen Receptor Binding

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Acid moiety AND Anilines (Unhindered) by Aquatic toxicity classification by ECOSAR

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as No alert found by DNA binding by OASIS v.1.3

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Non-covalent interaction OR Non-covalent interaction >> DNA intercalation OR Non-covalent interaction >> DNA intercalation >> DNA Intercalators with Carboxamide Side Chain OR Non-covalent interaction >> DNA intercalation >> Fused-Ring Primary Aromatic Amines OR Radical OR Radical >> Radical mechanism via ROS formation (indirect) OR Radical >> Radical mechanism via ROS formation (indirect) >> Fused-Ring Primary Aromatic Amines OR Radical >> Radical mechanism via ROS formation (indirect) >> Nitroaniline Derivatives OR Radical >> Radical mechanism via ROS formation (indirect) >> Single-Ring Substituted Primary Aromatic Amines OR SN1 OR SN1 >> Nucleophilic attack after metabolic nitrenium ion formation OR SN1 >> Nucleophilic attack after metabolic nitrenium ion formation >> Fused-Ring Primary Aromatic Amines OR SN1 >> Nucleophilic attack after metabolic nitrenium ion formation >> Single-Ring Substituted Primary Aromatic Amines OR SN1 >> Nucleophilic attack after reduction and nitrenium ion formation OR SN1 >> Nucleophilic attack after reduction and nitrenium ion formation >> Nitroaniline Derivatives by DNA binding by OASIS v.1.3

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Not known precedent reproductive and developmental toxic potential by DART scheme v.1.0

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as Non-steroid nucleus derived estrogen receptor (ER) and androgen receptor (AR) OR Non-steroid nucleus derived estrogen receptor (ER) and androgen receptor (AR) >> Other non-steroidal estrogen receptor (ER) binding compounds (2b-2) OR Not covered by current version of the decision tree by DART scheme v.1.0

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as Not known precedent reproductive and developmental toxic potential by DART scheme v.1.0

Domain logical expression index: "i"

Referential boundary: The target chemical should be classified as Piperazine-, dioxane-, morpholine-, tetrahydrothiopyran-like derivatives and cyclohexanamine (17c) by DART scheme v.1.0

Domain logical expression index: "j"

Referential boundary: The target chemical should be classified as Benzene/ Naphthalene sulfonic acids (Less susceptible) Rank C by Repeated dose (HESS)

Domain logical expression index: "k"

Referential boundary: The target chemical should be classified as p-Aminophenols (Renal toxicity) Rank B by Repeated dose (HESS)

Domain logical expression index: "l"

Parametric boundary:The target chemical should have a value of log Kow which is >= -2.08

Domain logical expression index: "m"

Parametric boundary:The target chemical should have a value of log Kow which is <= 0.833