N-(5-chloro-2-methoxyphenyl)-3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]naphthalene-2-carboxamide

Hydrolysis

Administrative data

Endpoint:

hydrolysis

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Justification for type of information:

1. SOFTWARE
EPI Suite v4.11 Estimation Programs Interface Suite™ for Microsoft® Windows v 4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA.

2. MODEL (incl. version number)
HYDROWIN v2:00

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
See “Test material information”

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached information on the model provided by the developer.

5. APPLICABILITY DOMAIN
See attached information and information as provided in "Any other information on material and methods incl. tables".

6. ADEQUACY OF THE RESULT
See assessment of adequacy as outlined in the "Overall remarks, attachments" section.

Data source

Reference

Title:

EPISuite v4.11

Year:

2019

Bibliographic source:

HYDROWIN v2.00

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

other:

Version / remarks:

REACH Guidance on QSARs R.6

Principles of method if other than guideline:

- Software tool(s) used including version: EPI Suite v4.11
- Model(s) used: HYDROWIN v2:00
Full reference and details of the used formulas can be found in:
Mill, T., Haag, W., Penwell, P., Pettit, T. and Johnson, H. "Environmental Fate and Exposure Studies Development of a PC-SAR for Hydrolysis: Esters, Alkyl Halides and Epoxides". EPA Contract No. 68-02-4254: SRI International (1987).
- Model description: see field 'Justification for non-standard information', 'Attached justification' and 'any other information on material and methods'
- Justification of QSAR prediction: see field 'Justification for type of information', 'Attached justification' and/or 'overall remarks'

GLP compliance:

no

Test material

Test material information

Constituent 1

Reference substance name:

N-(5-chloro-2-methoxyphenyl)-3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]naphthalene-2-carboxamide

EC Number:

268-028-8

EC Name:

N-(5-chloro-2-methoxyphenyl)-3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]naphthalene-2-carboxamide

Cas Number:

67990-05-0

Molecular formula:

C32H25ClN4O5

IUPAC Name:

N-(5-chloro-2-methoxyphenyl)-3-hydroxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]-2-naphthamide

Study design

Estimation method (if used):

- Total Kb for pH > 8: 1.279E-001 L/mol sec
- Temperature for which rate constant was calculated: 25 °C
- Computer programme: HYDROWIN v2.00

Results and discussion

Transformation products:

not specified

Dissipation DT50 of parent compound

pH:

7

Temp.:

25 °C

DT50:

> 100 yr

Remarks on result:

other: Hydrolyzable Function detected: Amides

Remarks:

With the exception of a few halogenated acetamides, most amides hydrolyze to acids extremely slowly at 25 degC and pH7 with half-lives measured in centuries.

Any other information on results incl. tables

For detailed information on the results please refer to the attached report. The results refer to the uncharged molecule.