tert-butyl {(1S,3S)-3-{(S)- hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-4-methyl-1-[ (2S,4S)-5-oxo-4-(propan-2-yl)tetrahydrofuran-2-yl ]pentyl}carbamate

Vapour pressure

Administrative data

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

January 10, 2008-April 23, 2008

Reliability:

2 (reliable with restrictions)

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:

2008

Report date:

2008

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 104 (Vapour Pressure Curve)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.4 (Vapour Pressure)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

effusion method: by loss of weight or by trapping vaporisate

Test material

Test material information

Constituent 1

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
- Substance type: white powder
- Physical state: solid
- Analytical purity: 99.2% (HPLC)
- 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
- Storage: room temperature (20 +/- 5°C) (closed vessel)

Results and discussion

Vapour pressure

Temp.:

20 °C

Vapour pressure:

0 Pa

Any other information on results incl. tables

The measured values in all evaluated experiments show good to medium reproducibility, giving relative standard deviations for the single experiments of 15 - 49%. In one experiment, only one measurement was evaluated, as it is believed that vacuum had not been constant during the measurement period. The evaluated measurement shows good correlation with the other experiments. Although the relative standard deviations of the single experiments were high, lying partly outside the usual range of 10 -30%, linear correlation between the measured weight losses was good, as can be seen from the correlation coefficient of -0.993. Therefore, it is believed, that the extrapolated values for vapour pressures at 20 and 25°C are valid. Additionally, the measured value at 30°C (nominal temperature) lies within the same range.

Upon inspection of the cells at the end of the experiment, a change in appearance of the test item was noted. The surface of the test item showed a change in colour. This is not regarded as critical concerning the outcome of the study, because most of the test item was still unchanged.

No observations were made which might cause doubts on the validity of the study out-come.

Applicant's summary and conclusion

Conclusions:

The effusion method was chosen for determination of the vapour pressure of SPP100 C6. The vapour pressure of the test substance was determined to be 2.52E-4 Pa at 20°C (and 3.34E-4 Pa at 25°C).