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Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
08 June - 15 September, 1994
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: done under GLP and OECD method

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
1994

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Version / remarks:
Directive 92/69/EEC
GLP compliance:
yes
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
A mixture of: bis(1S,2S,4S)-(1-benzyl-4-tert-butoxycarboxamido-2-hydroxy-5-phenyl)pentylammonium succinate; isopropyl alcohol
EC Number:
414-810-0
EC Name:
A mixture of: bis(1S,2S,4S)-(1-benzyl-4-tert-butoxycarboxamido-2-hydroxy-5-phenyl)pentylammonium succinate; isopropyl alcohol
Cas Number:
144163-85-9
Molecular formula:
Empirical formula: C25H35N2O5
IUPAC Name:
butanedioic acid; propan-2-ol; bis(tert-butyl N-[(4R)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate)

Study design

Analytical method:
other: Spectrophotometric 225nm - 325nm.

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
0.47
Temp.:
21 °C
pH:
>= 5.33 - <= 6.02
Remarks on result:
other: no pH specified
Remarks:
no pH specified

Any other information on results incl. tables

Aqueous phase conc ranged from 110.28 to 323.18µg/ml with pH values of 5.33 - 6.02.

Octanol phase conc ranged from 499.57 to 543.13µg/ml

Applicant's summary and conclusion

Conclusions:
The partition coefficient has been determined to be log Pow 0.47 at 21°C