5H-Oxazolo[3,2-a]pyridine-5-carbonitrile, hexahydro-3-phenyl-, (3S,5R,8aS)-

Water solubility

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 guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

yes

Test guideline 2

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

Test material information

Constituent 1

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%.