Benzoyl chloride, 3-[[[2,3-bis(acetyloxy)propyl]amino]carbonyl]-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]-

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

supporting study

Study period:

Feb 2002

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study with acceptable restrictions

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2002

Report date:

2002

Materials and methods

GLP compliance:

no

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

rac-3-(2,3-Diacetoxypropylcarbamoyl)-2,4,6-triiodo-5-methoxyacetylaminobenzoyl chloride

EC Number:

604-759-4

Cas Number:

150928-21-5

Molecular formula:

C18 H18 Cl I3 N2 O8

IUPAC Name:

rac-3-(2,3-Diacetoxypropylcarbamoyl)-2,4,6-triiodo-5-methoxyacetylaminobenzoyl chloride

Results and discussion

Water solubility

Key result

Remarks on result:

not determinable

Remarks:

suspected being hydrolytically unstable

Applicant's summary and conclusion

Conclusions:

The water solubility of ZK 91445 should be determined using the flask method. No values for the solubility of the substance could be obtained, because the substance is probably hydrolytically unstable. The pH value of the water solution is determined to be 2.3.

Executive summary:

The water solubility of ZK 91445 should be determined using the flask method which is based on a suspending of the test substance in the solvent until saturation is reached, followed byseparation of the saturated solution from the insoluble residues. The concentration was monitored by HPLC analysis. No results could be given because the substance is probably hydrolytically unstable.In the chromatograms of the first samples taken after three days at 20°C no peak at the retention time of ZK 91445 (5.6 min) was detectable. However two new strong peaks appeared (retention time 2.1 min and 2.3 min) which indicates that the substance decomposed in solution.In contrast to that, in the insoluble residues isolated from the solutions no significant increase of decomposition products was observed, which indicates that the decomposition products were more soluble than ZK 91445.The pH value of the water solution is determined to be 2.3.