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EC number: 276-851-9 | CAS number: 72797-41-2
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- March 2010
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Justification for type of information:
- The study was conducted in accordance xith the following guidelines :
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method -13 April 2004)
- EU Method A.8 'partition Coefficient' published 31 May 2008
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 010
- Report date:
- 2010
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 - HPLC Method)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- (±)-7-[(3-chloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid S,S-dioxide
- EC Number:
- 276-851-9
- EC Name:
- (±)-7-[(3-chloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid S,S-dioxide
- Cas Number:
- 72797-41-2
- Molecular formula:
- C21H25ClN2O4S
- IUPAC Name:
- (±)-7-[(3-chloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid S,S-dioxide
- Test material form:
- solid: crystalline
- Details on test material:
- White powder
Constituent 1
- Specific details on test material used for the study:
- Batch 562371/016
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. 2.162
- Temp.:
- 25 °C
- pH:
- ca. 6
- Details on results:
- The chromatogram of the test item gave one peak at 4.424min. With the calibration function log K versus log Pow, the corresponding log Pow was determined as 2.162 +/- 0.009. This value is the mean +/- standard deviation of three independant determinations
Applicant's summary and conclusion
- Conclusions:
- Using the correlation log K/log Pow, the log Pow of the test item 1574 ACIDE was determined as 2.162 +/- 0.009.
- Executive summary:
The chromatogram of the test item gave one peak at 4.424min. With the calibration function log K versus log Pow, the corresponding log Pow was determined as 2.162 +/- 0.009. This value is the mean +/- standard deviation of three independant determinations
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