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Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
Sept. 2013 - Oct. 2013
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Fully documented study according to international guidelines and under GLP guidelines.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2013
Report date:
2013

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
yes
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
yes
Principles of method if other than guideline:
The temperature in the 30°C thermostat cabinet was in the range of 29.1-29.3°C
and not 30 ± 0.5°C as described in the study plan. This deviation was observed in
the pre-equilibration phase and not in the definitive equilibration phase of 20 ±
0.5°C. Thus, it had no influence on the outcome of the test.
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method

Test material

Constituent 1
Chemical structure
Reference substance name:
(3S,5R,8aS)-3-cyclohexyl-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine-5-carbonitrile
EC Number:
634-598-5
Cas Number:
106565-71-3
Molecular formula:
C14H16N2O1
IUPAC Name:
(3S,5R,8aS)-3-cyclohexyl-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine-5-carbonitrile
Test material form:
solid: crystalline
Details on test material:
Sample from Batch no. BS12010625;
additional analytical information provided in section 1.4

Results and discussion

Water solubility
Water solubility:
ca. 146 mg/L
Temp.:
29.2 °C
pH:
> 7.1 - < 7.3
Remarks on result:
other: The last 24 h of the test were at 20.0 ± 0.5°C.
Details on results:
The measured concentrations were as follows:
144 mg/l after 48 h (i.e. 24 h at 29.2 ± 0.1°C and 24 h at 20.0 ± 0.5°C), pH 7.2
144 mg/l after 72 h (i.e. 48 h at 29.2 ± 0.1°C and 24 h at 20.0 ± 0.5°C), pH 7.1
149 mg/l after 96 h (i.e. 72 h at 29.2 ± 0.1°C and 24 h at 20.0 ± 0.5°C) pH 7.3

The water solubility of PAM-Oxazolopiperidine, calculated as the mean value of the
three determinations, is 146 mg/l.
The test is valid, since the concentrations of at least the last 2 vessels do not differ
by more than 15%.

Applicant's summary and conclusion

Conclusions:
Interpretation of results (migrated information): moderately soluble (100-1000 mg/L)
The water solubility of PAM-Oxazolopiperidine, calculated as the mean value of the
three determinations, is 146 mg/l.
Executive summary:

The water solubility of PAM-Oxazolopiperidine, was investigated by dissolving the test substance in tightly sealed test vessels at 30°C for at least 24 h and equilibration at 20°C for another 24 h, both by using a magnetic stirrer.

The initially added amount of test substance was 1 g per litre deionised water. All samples were filtrated before chemical analysis by HPLC using MILLIPORE AP15 glass fibre filters. The measured concentrations were as follows:

144 mg/l after 48 h (i.e. 24 h at 29.2 ± 0.1°C and 24 h at 20.0 ± 0.5°C), pH 7.2

144 mg/l after 72 h (i.e. 48 h at 29.2 ± 0.1°C and 24 h at 20.0 ± 0.5°C), pH 7.1

149 mg/l after 96 h (i.e. 72 h at 29.2 ± 0.1°C and 24 h at 20.0 ± 0.5°C) pH 7.3

The water solubility of PAM-Oxazolopiperidine, calculated as the mean value of the three determinations, is 146 mg/l.

The test is valid, since the concentrations of at least the last 2 vessels do not differ by more than 15%.