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:	122
	Name:	Alprazolam
	Description:
	Labels:	Blood, 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