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: | 63 | |
|---|---|---|
| Name: | Ropivacaine | |
| Description: | ||
| Labels: | ||
| CAS: | 84057-95-4 | |
| InChi Code: | InChI=1S/C17H26N2O/c1-4-11-19-12-6-5-10-15(19)17(20)18-16-13(2)8-7-9-14(16)3/h7-9,15H,4-6,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1 |
Properties
CI: Clearance Index
| Value | Source or prediction |
|---|---|
| 0.75 |
experimental value |
| 0.71344 |
Eq.3: QSAR model to predict placental transfer (Training set) |