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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
Oct 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2017
Report date:
2018

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
GLP compliance:
yes (incl. QA statement)
Type of method:
column elution method

Test material

Constituent 1
Chemical structure
Reference substance name:
bis(acetic acid); ethyl 3-{1-[1-methyl-2-({[4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]amino}methyl)-1H-1,3-benzodiazol-5-yl]-N-(pyridin-2-yl)formamido}propanoate
EC Number:
925-312-2
Cas Number:
1184044-93-6
Molecular formula:
C28 H27 N7 O5 x 2 C2 H4 O2
IUPAC Name:
bis(acetic acid); ethyl 3-{1-[1-methyl-2-({[4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]amino}methyl)-1H-1,3-benzodiazol-5-yl]-N-(pyridin-2-yl)formamido}propanoate

Results and discussion

Water solubility
Water solubility:
ca. 2.538 mg/L
Conc. based on:
test mat.
Temp.:
20 °C
pH:
ca. 4.5
Remarks on result:
other: requirements of EC method A.6 and OECD 105 concerning solubility criteria are fulfilled.

Applicant's summary and conclusion

Conclusions:
The solubility of BIBR 1048 Oxa Amidin was determined in ultra-pure water in equilibrium with atmospheric carbon dioxide at a temperature of 20 ± 0.5° C. Determined pH value is 4.5 with Mean solubility of 2.538 mg/L.
The results indicate the required reproducibility (relative standard deviation below 30%) and no tendency to increasing values, when the test time was prolonged.
The mean values obtained from the two test with different flows did not differ by more than 30%.