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: | 223 | |
|---|---|---|
| Name: | Pentobarbital | |
| Description: | Alternative name from original table: (5-Ethyl-5-(1-methylbutyl)barbituric acid) | |
| Labels: | Serum, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16) |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| 0.16 |
experimental value |
| 0.106 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| 0.1191 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7023435 | US EPA CompTox Dashboard |