Registration Dossier
Registration Dossier
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EC number: 616-149-5 | CAS number: 74860-00-7
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 1999-12-03 to 1999-12-06
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 1 999
- Report date:
- 1999
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- 1989
- GLP compliance:
- not specified
- Type of method:
- HPLC method
Test material
- Reference substance name:
- 2-({9-azatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-10-yl}methyl)-2,3-dihydro-1H-isoindole-1,3-dione
- EC Number:
- 616-149-5
- Cas Number:
- 74860-00-7
- Molecular formula:
- C23 H16 N2 O2
- IUPAC Name:
- 2-({9-azatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-10-yl}methyl)-2,3-dihydro-1H-isoindole-1,3-dione
Constituent 1
Study design
- Analytical method:
- other: With the HPLC-method the determination of partition coefficient (n-Octanol/Water) is possible without the need of any quantitative analytical method.
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 3.6
- Temp.:
- 20 °C
- Remarks on result:
- other: pH not specified
Any other information on results incl. tables
The partition coefficient was calculated based on a calibration curve using 10 reference compounds. The difference between the three measurements of the reference mixture was less than the given 0.1 log units. Therefore, the study is considered to be valid.
Applicant's summary and conclusion
- Conclusions:
- The logarithmic partition coefficient (n-Octanol/Water) of the main component of the test substance was determined to be 3.6 at 20°C +- 1°C using HPLC method.
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