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EC number: 226-558-7 | CAS number: 5424-01-1
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 26 February 2013 - 28 March 2013
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: The study has been performed in accordance with the EC A.8 and OECD 107 guidelines and complied with the principles of GLP.
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:
- EU Method A.8 (Partition Coefficient)
- Version / remarks:
- (2008)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- (1995)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- Version / remarks:
- (1996)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 3-aminopyrazine-2-carboxylic acid
- EC Number:
- 226-558-7
- EC Name:
- 3-aminopyrazine-2-carboxylic acid
- Cas Number:
- 5424-01-1
- Molecular formula:
- C5H5N3O2
- IUPAC Name:
- 3-aminopyrazine-2-carboxylic acid
- Test material form:
- solid: particulate/powder
- Remarks:
- migrated information: powder
- Details on test material:
- - Name of test material (as cited in study report): Amiloride Compound 5
- Description: Tan powder
- Storage condition of test material: In refrigerator (2-8°C) protected from light, desiccated
- Other: Reactive to light, moisture and oxygen
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficientopen allclose all
- Type:
- log Pow
- Partition coefficient:
- <= -3.1
- Temp.:
- 20 °C
- pH:
- 7
- Type:
- Pow
- Partition coefficient:
- <= 0.001
- Temp.:
- 20 °C
- pH:
- 7
- Details on results:
- The obtained log Pow values fell outside the criterion range of ± 0.3 log units (see table below) due to low concentration in the n-octanol phase but all log Pow values were ≤ -3.1. Based on this, log Pow was reported to be ≤ -3.1.
Any other information on results incl. tables
Results Shake flask method
Ratio n-octanol : water [v:v] |
Analysed concentration |
Pow |
log Pow
|
pH
|
||
n-octanol [g/l] |
Water [g/l] |
Individual
|
Mean
|
|||
|
|
|
|
|
|
|
1:1 |
1.49E-04 |
2.27E-01 |
6.6E-04 |
3.6E-04 |
-3.2 |
6.9 |
|
1.53E-05 |
2.19E-01 |
7.0E-05 |
|
-4.2 |
6.9 |
|
|
|
|
|
|
|
1:2 |
1.71E-05 |
1.61E-01 |
1.1E-04 |
1.6E-04 |
-4.0 |
6.9 |
|
3.56E-05 |
1.62E-01 |
2.2E-04 |
|
-3.7 |
6.9 |
|
|
|
|
|
|
|
2:1 |
2.66E-04 |
3.25E-01 |
8.2E-04 |
8.4E-04 |
-3.1 |
6.8 |
|
2.81E-04 |
3.26E-01 |
8.6E-04 |
|
-3.1 |
6.7 |
No test substance was detected in the pretreated samples from the blank mixture.
Applicant's summary and conclusion
- Conclusions:
- The log Pow of Amiloride Compound 5 at pH 7 and 20°C was determined to be ≤ -3.1 (Pow ≤ 7.94E-04) using the shake flask method (GLP-compliant study in accordance with EC A.8, OECD 107 and EPA OPPTS 830.7550).
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