florbetaben   Click here for help

GtoPdb Ligand ID: 7769

Synonyms: [18F]BAY 94-9172 [1] | AV-1 [2] | BAY 94-9172 [2] | Neuraceq®
Approved drug  Ligand is labelled  Ligand is radioactive
florbetaben is an approved drug (EMA & FDA (2014))
Compound class: Synthetic organic
Comment: Florbetaben F18 is the third PET (positron-emission tomography) reagent approved to identify amyloid-β (Aβ) as a diagnostic biomarker in the brains of patients with Alzheimer's disease (AD) [1]. Flutemetamol and florbetapir are the two other PET reagents approved for Aβ detection. These diagnostic tools allow direct and non-invasive in vivo visualisation and quantification of Aβ.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 12
Topological polar surface area 39.72
Molecular weight 359.19
XLogP 4.46
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES FCCOCCOCCOc1ccc(cc1)C=Cc1ccc(cc1)NC
Isomeric SMILES [18F]CCOCCOCCOc1ccc(cc1)/C=C/c1ccc(cc1)NC
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
InChI Key NCWZOASIUQVOFA-FWZJPQCDSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (EMA & FDA (2014))
IUPAC Name Click here for help
4-[(E)-2-[4-[2-[2-(2-fluoranylethoxy)ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline
International Nonproprietary Names Click here for help
INN number INN
9184 florbetaben (18F)
Synonyms Click here for help
[18F]BAY 94-9172 [1] | AV-1 [2] | BAY 94-9172 [2] | Neuraceq®
Database Links Click here for help
CAS Registry No. 902143-01-5 (source: Scifinder)
DrugCentral Ligand 4818
GtoPdb PubChem SID 223366102
PubChem CID 11501341
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Wikipedia Florbetaben_(18F)