Registration Dossier
Registration Dossier
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EC number: 925-312-2 | CAS number: 1184044-93-6
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- October 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- bis(acetic acid); ethyl 3-{1-[1-methyl-2-({[4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]amino}methyl)-1H-1,3-benzodiazol-5-yl]-N-(pyridin-2-yl)formamido}propanoate
- EC Number:
- 925-312-2
- Cas Number:
- 1184044-93-6
- Molecular formula:
- C28 H27 N7 O5 x 2 C2 H4 O2
- IUPAC Name:
- bis(acetic acid); ethyl 3-{1-[1-methyl-2-({[4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]amino}methyl)-1H-1,3-benzodiazol-5-yl]-N-(pyridin-2-yl)formamido}propanoate
Constituent 1
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. 1.46
- Temp.:
- 20 °C
- Remarks on result:
- other: requirements of OECD guideline 117 concerning the quality criteria are fulfilled.
Applicant's summary and conclusion
- Conclusions:
- The aim of this study was the determination of the n-octanol/water partition coefficient of BIBR 1048 Diamine by high performance liquid chromatography (HPLC) method according to EC method A.8 and OECD guideline 117.
1.The analysis was performed on an analytical column packed with solid phase containing long hydrocarbon chains chemically bound onto silica (Luna 5μ C18)(2) 100 A; 250 x 3.0 mm).
2. A mixture of 60% methanol and 40% ultrapure water was used as mobile phase and the column temperature was 20°C ± 1 °C.
3. The two measurements made under identical conditions and using the same set of reference items fall within a range of ± 0.1 log unit.
4. The requirements of OECD guideline 117 concerning the quality criteria are fulfilled.
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