Abraham, M. H.; Ibrahim, A.; Zhao, Y.; Acree, W. E. A data base for partition of volatile organic compounds and drugs from blood/plasma/serum to brain, and an LFER analysis of the data. J. Pharm. Sci. 2006, 95, 10, 2091–2100.
Compound
| ID: | 196 | |
|---|---|---|
| Name: | Methohexital | |
| Description: | ||
| Labels: | Serum, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C14H18N2O3/c1-5-7-8-10(3)14(9-6-2)11(17)15-13(19)16(4)12(14)18/h6,10H,2,5,9H2,1,3-4H3,(H,15,17,19) |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| -0.06 |
experimental value |
| 0.098 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| 0.1088 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1023287 | US EPA CompTox Dashboard |