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Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
24 August 2015-17 November 2015
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: GLP-compliant study in accordance with EC A.6 and OECD 105.

Data source

Referenceopen allclose all

Reference Type:
other: study amendment
Title:
Unnamed
Year:
2021
Report date:
2021
Reference Type:
study report
Title:
Unnamed
Year:
2015
Report date:
2015

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Version / remarks:
(2008)
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Version / remarks:
(1995)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7840 (Water Solubility)
Version / remarks:
(1998)
Deviations:
no
GLP compliance:
yes
Type of method:
flask method

Test material

Constituent 1
Chemical structure
Reference substance name:
5-[(S)-4-Carboxy-4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-butyrylamino]-2-nitro-benzoic acid
EC Number:
926-197-1
Cas Number:
2561176-48-3
Molecular formula:
C20 H15 N3 O9
IUPAC Name:
5-[(S)-4-Carboxy-4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-butyrylamino]-2-nitro-benzoic acid
Test material form:
solid: particulate/powder
Remarks:
migrated information: powder
Details on test material:
- Name (as cited in study report): P-Glupa-C
- Appearance: yellow powder
- Storage conditions: at room temperature

Results and discussion

Water solubility
Water solubility:
1.63 g/L
Temp.:
20 °C
pH:
2.4 - 2.5
Remarks on result:
other: The substance seems not stable in water.
Details on results:
The concentration analysed after 24, 48 and 72 hours of stirring was 0.977 g/L, 0.772 g/L and 0.654 g/L, resp. A decrease in concentration was observed over time indicating degradation. The pH of the aqueous samples was 2.6-2.7. The maximum difference of 40% did not meet the criterion of = 15% .

The concentration analysed after 3, 6 and 16 hours of stirring was 1.65 g/L, 1.62 g/L and 1.05 g/L, resp. The pH of the aqueous samples was 2.4-2.5. The 16-hour measurement was significantly lower than the 3- and 6-hour measurements (maximum difference > 15%). Based on this, the water solubility of the test substance was given as the mean value of the 3- and 6-hour measurements. A maximum difference of 2.2% was calculated over the 3- and 6-hour measurements.

No test substance was detected in the pretreated sample from the blank water mixtures.

Applicant's summary and conclusion

Conclusions:
Interpretation of results (migrated information): decomposes
In a GLP-compliant study in accordance with EC A.6, OECD 105 and OPPTS 830.7840 using the flask method, a decrease in concentration with stirring time was measured indicating degradation. The water solubility of the substance at 20°C was reported as 1.63 g/L, which is the mean of the concentration analysed after 3 and 6 hours of stirring.