Registration Dossier
Registration Dossier
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EC number: 617-349-5 | CAS number: 82543-17-7
Dissociation constant
Administrative data
- Endpoint:
- dissociation constant
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- other information
- Study period:
- 2002
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- secondary literature
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 002
- Report date:
- 2002
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Estimation based on chemical structure.
- GLP compliance:
- no
Test material
- Reference substance name:
- 21a-Homo-6 alpha,7 alpha,15 alpha,16 alpha-tetrahydro-bis-3' H-cyclopropa[1',2':6,7;1'',2'':15,16]-5 beta,17 alpha-pregn-20-yne-3 beta,5,17,21a-tetrol
- EC Number:
- 617-349-5
- Cas Number:
- 82543-17-7
- Molecular formula:
- C24 H34 O4
- IUPAC Name:
- 21a-Homo-6 alpha,7 alpha,15 alpha,16 alpha-tetrahydro-bis-3' H-cyclopropa[1',2':6,7;1'',2'':15,16]-5 beta,17 alpha-pregn-20-yne-3 beta,5,17,21a-tetrol
- Test material form:
- solid: bulk
Constituent 1
Results and discussion
- Dissociating properties:
- no
Applicant's summary and conclusion
- Executive summary:
Except for the aliphatic OH-group ZK 34506 does not contain any functional group which can be
protonated or deprotonated significantly in aqueous solution.
For the aliphatic hydroxyl groups pKa values between 12.7 and 15.3 were calculated with the
computer program ACD/pKa DB.
Therefore ZK 34506 is to be considered a neutral molecule in the pH range 2 to 10, which is of
relevance for aqueous biological systems.
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