Registration Dossier
Registration Dossier
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EC number: 602-890-1 | CAS number: 122731-58-2
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2001-05-16 to 2001-05-29
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 001
- Report date:
- 2001
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- GLP compliance:
- not specified
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- rac-N-(2,3-Dihydroxypropyl)-5-nitroisophthalamic acid
- EC Number:
- 602-890-1
- Cas Number:
- 122731-58-2
- Molecular formula:
- C11 H12 N2 O7
- IUPAC Name:
- rac-N-(2,3-Dihydroxypropyl)-5-nitroisophthalamic acid
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficientopen allclose all
- Type:
- log Pow
- Partition coefficient:
- 0.25
- Temp.:
- 25 °C
- pH:
- 1
- Key result
- Type:
- log Pow
- Partition coefficient:
- -0.63
- Temp.:
- 25 °C
- pH:
- 4
- Key result
- Type:
- log Pow
- Partition coefficient:
- -2.68
- Temp.:
- 25 °C
- pH:
- 7
- Key result
- Type:
- log Pow
- Partition coefficient:
- < -3
- Temp.:
- 25 °C
- pH:
- 9
Applicant's summary and conclusion
- Executive summary:
The flask-shaking method was used to determine the partition coefficient of ZK 39166 at 25 °C. ZK 39166 was partitioned between n-octanol and aqueous buffer solutions. The ZK 39166 concentration in each phase after equilibration was determined by HPLC.
pH mean Pow with standard deviations log Pow 95 % confidence intervals for log Pow 1 1.8 ± 0.1 0.25 0.22 to 0.29 4 0.24 ± 0.01 - 0.63 - 0.64 to - 0.61 7 (2.11 ± 0.35) E-03 - 2.68 - 2.76 to - 2.61 9 < 1.02 E-03 < - 3.0 -
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