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:	168
	Name:	Fentanyl
	Description:
	Labels:	Blood, in_vivo
	CAS:
	InChi Code:	InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3

Properties

logBB: Blood-brain distribution

Value	Source or prediction
0.60	experimental value
0.465	Eq2: Model for drug-like chemicals, in vivo (Training set)
0.4704	Eq5: Model for all chemicals, in vivo and in vitro (Training set)

Links to External Resources

Link	Resource description
DTXSID9023049	US EPA CompTox Dashboard