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Diss Factsheets

Administrative data

Endpoint:
dissociation constant
Type of information:
experimental study
Adequacy of study:
other information
Study period:
2001-03-09
Reliability:
1 (reliable without restriction)

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2001
Report date:
2001

Materials and methods

Test guideline
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 112 (Dissociation Constants in Water)
Deviations:
yes
Remarks:
UV/Vis absorption spectra were measured in the flow cell of an HPLC diode array at different pH values.
GLP compliance:
yes

Test material

Constituent 1
Chemical structure
Reference substance name:
5-Hydroxy-15 beta,16 beta-methylene-3 beta-pivaloyloxy-5 beta-androst-6-en-17-one
EC Number:
617-345-3
Cas Number:
82543-14-4
Molecular formula:
C25 H36 O4
IUPAC Name:
5-Hydroxy-15 beta,16 beta-methylene-3 beta-pivaloyloxy-5 beta-androst-6-en-17-one

Results and discussion

Dissociating properties:
no

Applicant's summary and conclusion

Executive summary:

The chemical structure of ZK 90504 does not show any groups which can be protonated or deprotonated. To estimate the acid/base properties of ZK 90504, the UV/VIS spectra were measured in the pH region 2 -11. No spectral change was observed. Therefore, ZK 90504 can be considered as a neutral molecule in the pH range 2 - 10, which is of relevance for biological systems.

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