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: | 123 | |
|---|---|---|
| Name: | Alprazolam | |
| Description: | ||
| Labels: | Serum, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3 |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| -0.04 |
experimental value |
| 0.021 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| -0.0162 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4022577 | US EPA CompTox Dashboard |