Oja, M.; Maran, U. Quantitative structure-permeability relationships at various pH values for neutral and amphoteric drugs and drug-like compounds. SAR QSAR Environ. Res. 2016, 27, 813-832.
Compound
| ID: | N1 | |
|---|---|---|
| Name: | Beclometasone dipropionate | |
| Description: | ||
| Labels: | Neutral | |
| CAS: | 5534-09-8 | |
| InChi Code: | InChI=1S/C28H37ClO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1 |
Properties
LogPeff_average: Average logarithmic effective membrane permeability for pH range 3 to 9 of neutral compounds [log(cm/s)]
| Value | Source or prediction |
|---|---|
| -5.51 |
experimental value |
| -5.19 |
Eq.9: QSAR model for average membrane permeability of neutral compounds (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3048730 | US EPA CompTox Dashboard |