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EC number: 276-851-9 | CAS number: 72797-41-2
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- August to november 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Justification for type of information:
- The determination was carried out by the flask method, using a procedure designed to be compatible with Method A.6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.
The test system consisted of purified water with a resistivity of greater than 15MΩ.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
Test material
- Reference substance name:
- (±)-7-[(3-chloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid S,S-dioxide
- EC Number:
- 276-851-9
- EC Name:
- (±)-7-[(3-chloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid S,S-dioxide
- Cas Number:
- 72797-41-2
- Molecular formula:
- C21H25ClN2O4S
- IUPAC Name:
- (±)-7-[(3-chloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid S,S-dioxide
- Test material form:
- solid: crystalline
- Details on test material:
- White powder
Constituent 1
- Specific details on test material used for the study:
- Batch 18114773 - Purity > 99.5%
Results and discussion
Water solubility
- Key result
- Water solubility:
- ca. 40.9 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- pH:
- ca. 6.1
Applicant's summary and conclusion
- Conclusions:
- On completion of the equilibration period, the samples were clear and colorless with excess test item present at the bottom of the test vessels. The solutions were decanted, avoiding excess test item prior to centrifugation. After centrifugation, the supernatant was taken for analysis. The supernatant was visually observed to be clear/colorless and free from un-dissolved test item.
As the water solubility was determined during the preliminary test to be above 10-2 g/L, the flask shaking test was performed.
All individual water solubility results were within ± 15% of the mean, thus satisfying the criteria specified in the guidelines.
The water solubility of the test item has been determined to be 4.09 x 10-2 g/L of solution at 20.0 ± 0.5 °C. - Executive summary:
The water solubility of the test item has been determined to be 4.09 x 10-2 g/L of solution at 20.0 ± 0.5 °C.
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