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: | 163 | |
|---|---|---|
| Name: | Diphenhydramine | |
| Description: | ||
| Labels: | Plasma, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3 |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| 1.26 |
experimental value |
| 0.749 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| 0.7228 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4022949 | US EPA CompTox Dashboard |