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: | 43 | |
|---|---|---|
| Name: | L-Alphacetylmethadol | |
| Description: | ||
| Labels: | ||
| CAS: | 43033-72-3 | |
| InChi Code: | InChI=1S/C23H31NO2.ClH/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21;/h7-16,18,22H,6,17H2,1-5H3;1H/t18-,22-;/m0./s1 |
Properties
CI: Clearance Index
| Value | Source or prediction |
|---|---|
| 0.492 |
experimental value |
| 0.72033 |
Eq.3: QSAR model to predict placental transfer (Training set) |