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Diss Factsheets

Administrative data

partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
07 June 1999
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: The study was conducted in accordance with several internationally established guidelines (OECD, EEC, EPA guidelines, see below).

Data source

Reference Type:
study report
Report date:

Materials and methods

Test guidelineopen allclose all
according to guideline
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
according to guideline
EU Method A.8 (Partition Coefficient)
according to guideline
EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:

Test material

Constituent 1
Chemical structure
Reference substance name:
(S)-3-Methyl-1-(2-piperidine-1-phenyl)butylamine compound with N-Acetyl-L-glutamic acid
EC Number:
Cas Number:
Molecular formula:
C16-H26-N2 x C7-H11-N-O5
(S)-3-Methyl-1-(2-piperidine-1-phenyl)butylamine compound with N-Acetyl-L-glutamic acid
Test material form:
other: solid
Details on test material:
- Name of test material (as cited in study report): AGEE 623 Glutaminate; L-Glutamic acid, N-acetyl, compd. with (S)-alpha-(2-methylpropyl)-2-(1-piperidinyl)-benzenemethanamine
- Physical state: solid white powder
- Analytical purity: 100% measured over area (4% of (R)-(-)-enantiomer
- Lot/batch No.: T29725
- Expiration date of the lot/batch: 31 december 1999
- Stability under test conditions: pure: see expiry date
- Storage condition of test material: in original container, at room temperature, in the dark

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
log Pow
Partition coefficient:
> 6
20 °C

Any other information on results incl. tables

HPLC Method

The solution of the test substance was injected five times and the solution of the reference compounds were injected five times each at one concentration level. Based on the chromatographic data, AGEE 623 Glutaminate was considered to be stable during the test procedure.

The partition coefficient was calculated based on a calibration curve using 7 reference compounds. The difference between the five measurements of the reference mixture is less than the given limit of 0.1 log P units, therefore the study is considered to be valid.

The temperature of the mobile phase was thermostated to 20°C +-1°C during the HPLC measurement.

The linearity of the analytical method was proved in the log Pow range from 1.9 to 5.7.

The chromatograms obtained for the sample solution show that the partition coefficient of AGEE 623 Glutaminate was determined to be log Pow > 6.

Additional to the procedure as described above, further measurements were performed to confirm the results obtained. The sample solution of AGEE 623 Glutaminate and the triphenylamine reference solution were measured by HPLC analysis using 100% acetonitrile as mobile phase for the elution. The higher retention time measured for AGEE 623 Glutaminate proved that the partition coefficient of the test substance AGEE 623 Glutaminate was determined to be log Pow > 6

Applicant's summary and conclusion

The partition coefficient (n-Octanol / Water) of AGEE 623 Glutaminate was determined to be log Pow > 6 at 20°C.