Phenoxymethylpenicillin potassium

Water solubility

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

October 14, 2019

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Qualifier:

equivalent or similar to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Specific details on test material used for the study:

Name: Pen V Potassium
Lot No.: B519322
Appearance:white, solid powder
Expiry date: 30 April 2024
Storage condition: at room temperature, protected from light

Key result

Water solubility:

>= 444.1 - <= 577.9 g/L

Conc. based on:

test mat.

Temp.:

20 °C

pH:

ca. 5.7

Remarks on result:

other: Solubility of the test item (g/L)

Key result

Water solubility:

>= 536.3 - <= 547.7 g/L

Conc. based on:

test mat.

Incubation duration:

ca. 24 h

Temp.:

20 °C

pH:

ca. 5.82

Key result

Water solubility:

>= 483.4 - <= 518.6 mg/L

Conc. based on:

test mat.

Incubation duration:

ca. 48 h

Temp.:

20 °C

pH:

ca. 5.63

Key result

Water solubility:

>= 461 - <= 523 mg/L

Conc. based on:

test mat.

Incubation duration:

ca. 72 h

Temp.:

20 °C

pH:

ca. 5.59

Conclusions:

In conclusion the water solubility of Pen V Potassium was determined to be 511 ± 66.9 g/L (95% confidence interval) at 20 ± 1 °C and pH ca. 5.7, using the shake-flask method for the performance.

Executive summary:

In the course of this study the water solubility of Pen V Potassium was determined using the shake-flask method for the performance of the main test.The water solubility: 511±66.9 g/L (95% confidence interval) at 20 °C and pH 5.7.

Reference 2

Endpoint:

water solubility

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Study period:

2021

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source

Qualifier:

no guideline required

Principles of method if other than guideline:

The programme WSKOWWIN estimates the water solubility of an organic compound using the compounds log octanol-water partition coefficient.
The programme WATERNT estimates the water solubility of an organic compound. It requires only a chemical structure and is based upon a fragment constant method.

Specific details on test material used for the study:

SMILES used: N12C(=O)C(NC(=O)COc3ccccc3)C1SC(C)(C)C2C(=O)O(K) and Free acid O=C(O)C1C(C)(C)SC2C(NC(=O)COc3ccccc3)C(=O)N12

Water solubility:

63.47 g/L

Temp.:

25 °C

Conclusions:

Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 63470

Executive summary:

The water solubility of the substance was calculated by QSAR model WSKOWWIN to 63.47 g/L at 25 °C.

Description of key information

The water solubility of Pen V Potassium was determined to be 511 ± 66.9 g/L (95% confidence interval) at 20 ± 1 °C and pH ca. 5.7, using the shake-flask method for the performance.

The water solubility Estimate from Log Kow (WSKOW v1.42) at 25 deg C: 63470 mg/L

Key value for chemical safety assessment

Water solubility:

511 g/L

at the temperature of:

20 °C