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: | 124 | |
|---|---|---|
| Name: | Aminopyrine | |
| Description: | ||
| Labels: | Serum, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3 |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| 0.00 |
experimental value |
| -0.037 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| -0.0325 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7020504 | US EPA CompTox Dashboard |