Registration Dossier

Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
September 07, 2007-September 14, 2007
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: The study has been performed according to EC and/or OECD guidelines and according to GLP principles.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2007
Report date:
2007

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
GLP compliance:
yes
Type of method:
flask method

Test material

Constituent 1
Chemical structure
Reference substance name:
tert-butyl N-[(1S,3S,4S)-4-hydroxy-4-[4-methoxy-3-(3-methoxypropoxy)phenyl]-1-[(2S,4S)-5-oxo-4-(propan-2-yl)oxolan-2-yl]-3-(propan-2-yl)butyl]carbamate
EC Number:
700-317-0
Cas Number:
934841-33-5
Molecular formula:
C30H49NO8
IUPAC Name:
tert-butyl N-[(1S,3S,4S)-4-hydroxy-4-[4-methoxy-3-(3-methoxypropoxy)phenyl]-1-[(2S,4S)-5-oxo-4-(propan-2-yl)oxolan-2-yl]-3-(propan-2-yl)butyl]carbamate
Details on test material:
- Name of test material (as cited in study report): SPP100 C6
- Molecular formula: C30H49NO8
- Molecular weight: 551.73
- Analytical purity: 99.2% (HPLC, sum of isomers 1 and 2)
- Impurities (identity and concentrations):
significant impurities: sum of all impurities by HPLC: 0.8%
- solvent content:
Isopropyl acetate: 1.9% (w/w)
Methylcyclohexane: 5.8% (w/w)
- Lot/batch No.: HH-853.35Kr
- Stability/Expiration date of the lot/batch: December 2007

findings of test facility:
Content of water: 0.20% w/w (volumetric Karl Fischer titration)

Results and discussion

Water solubility
Water solubility:
102.2 mg/L
Temp.:
20 °C
pH:
> 5.2 - < 6

Applicant's summary and conclusion

Conclusions:
Interpretation of results (migrated information): moderately soluble (100-1000 mg/L)
The water solubility of SPP100 C6 was determined to be 102.2 mg/l at 20°C using the flask method.