Hewitt, M.; Madden, J.C.; Rowe, P.H.; Cronin, M.T.D. Structure-based modelling in reproductive toxicology: (Q)SARs for the placental barrier. SAR QSAR Environ. Res. 2007, 18, 57-76.
Compound
| ID: | 11 | |
|---|---|---|
| Name: | Alfentanil | |
| Description: | ||
| Labels: | ||
| CAS: | 71195-58-9 | |
| InChi Code: | InChI=1S/C21H32N6O3/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26/h6-10H,4-5,11-17H2,1-3H3 |
Properties
CI: Clearance Index
| Value | Source or prediction |
|---|---|
| 0.75 |
experimental value |
| 0.80669 |
Eq.3: QSAR model to predict placental transfer (Training set) |