Registration Dossier
Registration Dossier
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EC number: 243-175-0 | CAS number: 19592-55-3
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 18 December 2012 - 12 March 2013
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: done under GLP and OECD method
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 013
- Report date:
- 2013
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Version / remarks:
- 440/2008
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 3,20-bis(ethylenedioxy)pregna-5,7-diene
- EC Number:
- 243-175-0
- EC Name:
- 3,20-bis(ethylenedioxy)pregna-5,7-diene
- Cas Number:
- 19592-55-3
- Molecular formula:
- C25H36O4
- IUPAC Name:
- (1S,3aR,9aR,9bS,11aS)-9a,11a-dimethyl-1-(2-methyl-1,3-dioxolan-2-yl)-1,2,3,3a,6,8,9,9a,9b,10,11,11a-dodecahydrospiro[cyclopenta[a]phenanthrene-7,2'-[1,3]dioxolane]
- Test material form:
- solid: crystalline
- Details on test material:
- slightly yellow powder
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
- other: computational
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 6.7
- pH:
- 7
- Remarks on result:
- other: ± 0.1
- Details on results:
- In addition to the HPLC results a calculation of the Pow was completed: The Pow of the test substance was calculated to be 1.3 x 10E6
(log Pow 6.13) using the Rekker calculation method.
.
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient has been determined to be log Pow : 6.7
- Executive summary:
The HPLC method was applied for the determination of the partition coefficient (Pow) of
Proketal.
The Pow and log Pow value of the test substance at neutral pH was:
Pow
log Pow
Area
%
Test substance
4.6x106
6.7
100
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