IUPAC name
4-[(E)-2-[4-(2-{2-[2-(¹⁸F)fluoroethoxy]ethoxy}ethoxy)phenyl]ethenyl]-N-methylaniline
SMILES
CNC1=CC=C(\C=C\C2=CC=C(OCCOCCOCC[18F])C=C2)C=C1
Compound class
Diagnostic Radiopharmaceuticals; Central Nervous System;
Therapeutic area
Common name
Florbetaben (18F)
IUPAC name
4-[(E)-2-[4-(2-{2-[2-(¹⁸F)fluoroethoxy]ethoxy}ethoxy)phenyl]ethenyl]-N-methylaniline
SMILES
CNC1=CC=C(\C=C\C2=CC=C(OCCOCCOCC[18F])C=C2)C=C1
INCHI
InChI=1S/C21H26FNO3/c1-23-20-8-4-18(5-9-20)2-3-19-6-10-21(11-7-19)26-17-16-25-15-14-24-13-12-22/h2-11,23H,12-17H2,1H3/b3-2+/i22-1
FORMULA
C21H26FNO3
Common name
Florbetaben (18F)
IUPAC name
4-[(E)-2-[4-(2-{2-[2-(¹⁸F)fluoroethoxy]ethoxy}ethoxy)phenyl]ethenyl]-N-methylaniline
Molecular weight
358.437
clogP
5.116
clogS
-6.113
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
39.72
Number of Rings
2
Rotatable Bond
12
