Table 1.
Test pharmaceutical physico-chemical properties.
| Pharmaceutical | Class | CASa | Molecular weight (g mol−1) | Log Kowb | Acid/Base | pKac | Specific activity (GBq mmol−1) |
|---|---|---|---|---|---|---|---|
| Carbamazepine | Anti-epileptic | 298-46-4 | 236.30 | 2.25 | Neutral | N/A | 0.74 |
| Diclofenac | Anti-inflammatory | 15307-79-6 | 318.13 | 4.02 | Acid | 4.12 | 2.29 |
| Fluoxetine | Anti-depressant | 54910-89-3 | 345.80 | 4.65 | Base | 9.53 | 2.04 |
| Orlistat | Weight loss aid | 96829-58-2 | 497.74 | 8.19 | Neutral | N/A | 2.05 |
a
CAS obtained from the Chemical Abstracts Service.
b
Log Kow values obtained from KOWWIN v. 1.68 database, USEPA EPI suite 4.1 programme.
c
pKa values were predicted using the University of Georgia SPARC database v. 4.2 (http://ibmlc2.chem.uga.edu/sparc) Accessed: 25/05/2012.