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: | 129 | |
|---|---|---|
| Name: | Barbital | |
| Description: | Alternative name from original table: (5-Ethyl-5-ethyl barbituric acid) | |
| Labels: | Plasma, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13) |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| -0.14 |
experimental value |
| -0.146 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| -0.1335 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5022643 | US EPA CompTox Dashboard |