Registration Dossier
Registration Dossier
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EC number: 613-975-8 | CAS number: 666816-98-4
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 27 Sep - 01 Dec 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 8-bromo-7-(but-2-yn-1-yl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
- EC Number:
- 613-975-8
- Cas Number:
- 666816-98-4
- Molecular formula:
- C10-H9-Br-N4-O2
- IUPAC Name:
- 8-bromo-7-(but-2-yn-1-yl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
- Test material form:
- solid: particulate/powder
Constituent 1
- Specific details on test material used for the study:
- Chemicals and Reagents used are Water (Ultra-Pure Grade, Acetonitrile (HiPerSolv CHROMANORM) and Methanol (CHROMASOLV).
Used the Agilent 1260 HPLC system with column Luna 5µ C18(2) 100A; 250 x 3.0 mm, Phenomenex
Methanol was used as diluent for the reference item solution.
Acetonitrile was used as diluent for the test item solution.
A sample was prepared containing 54.45 mg/L BI 1344 Alkin in diluent.
The reference mix was prepared in diluent.
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- 1.25
- Temp.:
- 20 °C
- Remarks on result:
- other: pH was not dermined
Applicant's summary and conclusion
- Conclusions:
- The aim of this study was the determination of the n-octanol/water partition coefficient of the test item by high
performance liquid chromatography (HPLC) method according to EC method A.8 and OECD guideline 117.
The analysis was performed on an analytical column packed with a solid phase containing lang hydrocarbon
chains chemically bound onto silica (Luna 5μ C18(2) 100A; 250 x 3.0 mm). A mixture of 60 % methanol and
40 % ultra-pure grade water was used as mobile phase and the column temperature was 20 °C ± 1 °C.
Mean log Pow of two runs: 1.25
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