Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018
Report date:
2018

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
The determination was carried out using an HPLC Method designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Salt of N-acetyl-L-glutamic acid and 1-[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methanamine (1:1), monohydrate
EC Number:
922-576-0
Cas Number:
1184182-45-3
Molecular formula:
C18H28N2O8
IUPAC Name:
Salt of N-acetyl-L-glutamic acid and 1-[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methanamine (1:1), monohydrate
Test material form:
solid: particulate/powder

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
ca. -1.27
Temp.:
23 °C
pH:
ca. 7

Applicant's summary and conclusion

Conclusions:
The partition coefficient of the test item has been determined to be 1.51 x 10-2, log10 Pow -1.83, measured at pH 7.0 ± 1.0 and a test temperature of 23.0 ± 0.5 °C.

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