Registration Dossier
Registration Dossier
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EC number: 603-316-2 | CAS number: 129050-27-7
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 08 February 2016 - 11 July 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7840 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
Test material
- Reference substance name:
- (1S)-2-(benzylamino)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol
- EC Number:
- 603-316-2
- Cas Number:
- 129050-27-7
- Molecular formula:
- C18H20FNO2
- IUPAC Name:
- (1S)-2-(benzylamino)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol
- Test material form:
- solid: particulate/powder
- Details on test material:
- - Name of test material (as cited in study reports): JNJ-17298957-AAA (T001592)
- Physical state: solid (powder)
- Appearance: White powder
Constituent 1
- Specific details on test material used for the study:
- - Batch n°: I15HB2929
- Analytical purity: 100% (Based on base titration assay)
- Expiration date: 14 Aug 2017
- Storage condition: at room temperature
Results and discussion
Water solubility
- Key result
- Water solubility:
- 0.038 g/L
- Conc. based on:
- test mat. (dissolved fraction)
- Loading of aqueous phase:
- 0.103 g/L
- Incubation duration:
- >= 24 - < 72 h
- Temp.:
- 20 °C
- pH:
- >= 6.8 - <= 7
- Remarks on result:
- other: Mean of 48 and 72h measurements
- Details on results:
- Preliminary test
The content of test item dissolved in the water sample was 0.0183 g/L.
Main test
The results for the samples taken at 24, 48 and 72 hours are given in the table in the next section. The 24-hour measurement was significantly lower than the 48- and 72-hour measurements (maximum difference (MD) > 15%). Based on this, the water solubility of the test item was given as the mean value of the 48- and 72-hour measurements.
A small response at the retention time of the test item was detected in the chromatogram of the pretreated sample from the blank water mixture. As the maximum contribution to the samples was 0.071%, it was considered not to have impacted the results of the test samples.
Any other information on results incl. tables
The results for the samples taken at 24, 48 and 72 hours are given in the table underneath.
| Stirring time (hours) | Analysed concentration (g/L) | Mean (g/L) | Maximum Difference (MD) (%) | pH |
| 24 | 0.0215 | 0.0379 | 1.7 | 6.8 |
| 48 | 0.0376 | 7.0 | ||
| 72 | 0.0382 | 7.0 |
Applicant's summary and conclusion
- Conclusions:
- The flask method was applied for the determination of the water solubility of JNJ-17298957-AAA (T001592).
The water solubility of the test item at 20°C was 0.0379 g/L.
The pH of the aqueous samples was 6.8 – 7.0.
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