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Physical & Chemical properties

Water solubility

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Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
9 September 1991 - 24 September 1991
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
1991
Report date:
1991

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method

Test material

Constituent 1
Chemical structure
Reference substance name:
3-(2-{4-[(Z)-(2,4-DIFLUOROPHENYL)(HYDROXYIMINO)METHYL]PIPERIDIN-1-YL}ETHYL)-2-METHYL-6,7,8,9-TETRAHYDRO-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE
EC Number:
603-689-1
Cas Number:
132961-05-8
Molecular formula:
C23H28F2N4O2
IUPAC Name:
3-(2-{4-[(Z)-(2,4-DIFLUOROPHENYL)(HYDROXYIMINO)METHYL]PIPERIDIN-1-YL}ETHYL)-2-METHYL-6,7,8,9-TETRAHYDRO-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE
Test material form:
solid: particulate/powder
Specific details on test material used for the study:
Batch RT001624BEA011 (lot n° 00096624)
HPLC purity 99.3%

Results and discussion

Water solubility
Key result
Water solubility:
0.121 g/L
Conc. based on:
test mat. (dissolved fraction)
Loading of aqueous phase:
0.55 g/L
Incubation duration:
>= 48 - <= 96 h
Temp.:
20 °C
pH:
8.9
Remarks on result:
other: 1 to 3 days equilibration and 1 day re-equilibration
Details on results:
Preliminary test
Solubility at 20°C: 0.112 g test substance/L solution

Test procedure
Sample I: 0.122 g/L solution (pH 8.9)
Sample II: 0.119 g/L solution (pH 8.9)
Sample III: 0.122 g/L solution (pH 8.9)

Any other information on results incl. tables

The purity of the test substance has not been taken into account

Applicant's summary and conclusion

Conclusions:
The water solubility of the test substance was determined via OECD Guideline 105 and at 20°C (and pH 8.9) was determined to be 0.121 g/L.