IUPAC name
4-[(E)-2-[6-(2-{2-[2-(¹⁸F)fluoroethoxy]ethoxy}ethoxy)pyridin-3-yl]ethenyl]-N-methylaniline
SMILES
[H]N(C1=C([H])C([H])=C(\C([H])=C(/[H])C2=C([H])N=C(OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])[18F])C([H])=C2[H])C([H])=C1[H])C([H])([H])[H]
Compound class
Diagnostic Radiopharmaceuticals; Central Nervous System;
Therapeutic area
Common name
Florbetapir (18F)
IUPAC name
4-[(E)-2-[6-(2-{2-[2-(¹⁸F)fluoroethoxy]ethoxy}ethoxy)pyridin-3-yl]ethenyl]-N-methylaniline
SMILES
[H]N(C1=C([H])C([H])=C(\C([H])=C(/[H])C2=C([H])N=C(OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])[18F])C([H])=C2[H])C([H])=C1[H])C([H])([H])[H]
INCHI
InChI=1S/C20H25FN2O3/c1-22-19-7-4-17(5-8-19)2-3-18-6-9-20(23-16-18)26-15-14-25-13-12-24-11-10-21/h2-9,16,22H,10-15H2,1H3/b3-2+/i21-1
FORMULA
C20H25FN2O3
Common name
Florbetapir (18F)
IUPAC name
4-[(E)-2-[6-(2-{2-[2-(¹⁸F)fluoroethoxy]ethoxy}ethoxy)pyridin-3-yl]ethenyl]-N-methylaniline
Molecular weight
359.425
clogP
4.551
clogS
-6.951
HBond Acceptor
4
HBond Donor
1
Total Polar
Surface Area
52.61
Number of Rings
2
Rotatable Bond
12
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00065 | ethylene glycol |
|
C(O)CO | 0.0265 |
| FDBF00603 | ethoxyethane |
|
O(CC)CC | 0.0058 |
| FDBF00805 | 2-methoxyethanol |
|
C(OC)CO | 0.0072 |
| FDBF01249 | 2-ethoxyethanol |
|
CCOCCO | 0.0024 |
| FDBF01411 | 1,2-dimethoxyethane |
|
C(OC)COC | 0.0027 |
| FDBF04216 | 2-fluoroethanol |
|
C(CF)O | 0.0007 |
| FDBF04218 | 1-fluoro-2-methoxy-ethane |
|
C(CF)OC | 0.0007 |
| FDBF04222 | 2-methoxypyridine |
|
O(C)c1ncccc1 | 0.0017 |
| FDBF04228 | 2-(2-pyridyloxy)ethanol |
|
O(c1ncccc1)CCO | 0.0003 |
