Physicochemical properties of sucrose and six cationic drugs
| Category | Parameters | Sucrose | Atenolol | Antipyrine | Prazosin | Labetalol | Propranolol | Diltiazem |
|---|---|---|---|---|---|---|---|---|
| I. Size | Mol. wt. | 342.3 | 266.3 | 188.2 | 383.4 | 328.4 | 259.4 | 414.5 |
| Volume | 283.6 | 260.9 | 178.3 | 336.0 | 314.8 | 257.8 | 377.8 | |
| II. Partitioning | logPapp | 0.14 | 0.33 | 1.88 | 2.69 | 3.10 | 3.53 | |
| III. Binding | f uB | 0.74 | 0.60 | 0.54 | 0.52 | 0.45 | 0.28 | |
| IV. Topology related | RB count | 5 | 8 | 1 | 4 | 8 | 6 | 7 |
| TPSA | 189.5 | 84.6 | 26.9 | 107.0 | 95.6 | 41.5 | 59.1 | |
| V. Hydrogen bound related | HBD count | 8 | 3 | 0 | 1 | 4 | 2 | 0 |
| HBA count | 11 | 4 | 2 | 8 | 4 | 3 | 5 | |
| Tautomer count | 1 | 2 | 0 | 3 | 7 | 0 | 0 |
logPapp, log of the octanol-water partition coefficient at pH 7.4, 37°C; fuB, unbound fraction of each drugs in the liver perfusion medium as determined in Hung et al. (2001); RB, number of rotatable bonds, a measure of molecular flexibility; amine C—N bonds are not considered because of their high rotational energy barrier; TPSA, topological polar surface area is a sum of fragment contributions; O- and N-centered polar fragments are considered (Ertl et al., 2000); HBD, hydrogen bond donor; HBA, hydrogen bond acceptor; tautomers are organic compounds that are interconvertible by tautomerization.