Registration Dossier
Registration Dossier
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EC number: 254-079-3 | CAS number: 38680-83-0
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- other: trend analysis
- Adequacy of study:
- key study
- Study period:
- 2014
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: This study is classified as reliable with restrictions because it is an acceptable and reliable study carried out by OECD ToolBox v.3.2.0. Meets generally accepted scientific principles, acceptable for assessment.
Data source
Reference
- Reference Type:
- other: software
- Title:
- QSAR ToolBox 3.2.0.103
- Author:
- OECD
- Year:
- 2 014
- Bibliographic source:
- http://www.oecd.org/env/ehs/risk-assessment/theoecdqsartoolbox.htm
Materials and methods
- Principles of method if other than guideline:
- Predicted from 84 category members using trend analysis.
- GLP compliance:
- not specified
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 95440-71-4
- Cas Number:
- 95440-71-4
- IUPAC Name:
- 95440-71-4
- Reference substance name:
- 111802-43-8
- Cas Number:
- 111802-43-8
- IUPAC Name:
- 111802-43-8
- Reference substance name:
- Prednisolone 21-acetate
- EC Number:
- 200-134-1
- EC Name:
- Prednisolone 21-acetate
- Cas Number:
- 52-21-1
- IUPAC Name:
- 11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate
- Reference substance name:
- 11β,17,21-trihydroxypregn-4-ene-3,20-dione 17-acetate
- EC Number:
- 240-510-2
- EC Name:
- 11β,17,21-trihydroxypregn-4-ene-3,20-dione 17-acetate
- Cas Number:
- 16463-74-4
- IUPAC Name:
- 11,21-dihydroxy-3,20-dioxopregn-4-en-17-yl acetate
- Reference substance name:
- CCNC(=O)C1(O)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C
- IUPAC Name:
- CCNC(=O)C1(O)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C
- Reference substance name:
- Triamcinolone
- EC Number:
- 204-718-7
- EC Name:
- Triamcinolone
- Cas Number:
- 124-94-7
- IUPAC Name:
- 9-fluoro-11,16,17,21-tetrahydroxypregna-1,4-diene-3,20-dione
- Reference substance name:
- Dexamethasone
- EC Number:
- 200-003-9
- EC Name:
- Dexamethasone
- Cas Number:
- 50-02-2
- IUPAC Name:
- 9-fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
- Reference substance name:
- Betamethasone
- EC Number:
- 206-825-4
- EC Name:
- Betamethasone
- Cas Number:
- 378-44-9
- IUPAC Name:
- 9-fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
- Reference substance name:
- Clobetasone
- EC Number:
- 258-953-5
- EC Name:
- Clobetasone
- Cas Number:
- 54063-32-0
- IUPAC Name:
- 21-chloro-9-fluoro-17-hydroxy-16-methylpregna-1,4-diene-3,11,20-trione
- Reference substance name:
- CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)NC
- IUPAC Name:
- CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)NC
Constituent 1
Constituent 2
Constituent 3
Constituent 4
Constituent 5
Constituent 6
Constituent 7
Constituent 8
Constituent 9
Constituent 10
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 2.29
- Remarks on result:
- other: Calculated by OECD Toolbox
Any other information on results incl. tables
The target chemical FALLS within applicability domain of the method.
Applicant's summary and conclusion
- Conclusions:
- By calculation with a reliable software a partition coefficient of 2.29 has been estimated.
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