florbetapir   Click here for help

GtoPdb Ligand ID: 7344

Synonyms: AMYViD® | AV-45 | florbetapir (18F)
Approved drug  Ligand is labelled  Ligand is radioactive
florbetapir is an approved drug (FDA (2012), EMA (2013))
Compound class: Synthetic organic
Comment: Florbetapir F18 is a molecular imaging agent (diagnostic radiopharmaceutical) that binds to β-amyloid aggregates in Alzheimer's brains.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 12
Topological polar surface area 52.61
Molecular weight 360.18
XLogP 3.73
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES FCCOCCOCCOc1ccc(cn1)C=Cc1ccc(cc1)NC
Isomeric SMILES [18F]CCOCCOCCOc1ccc(cn1)/C=C/c1ccc(cc1)NC
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
InChI Key YNDIAUKFXKEXSV-CRYLGTRXSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2012), EMA (2013))
IUPAC Name Click here for help
4-[(E)-2-[6-(2-{2-[2-(18F)fluoroethoxy]ethoxy}ethoxy)pyridin-3-yl]ethenyl]-N-methylaniline
International Nonproprietary Names Click here for help
INN number INN
9193 florbetapir (18F)
Synonyms Click here for help
AMYViD® | AV-45 | florbetapir (18F)
Database Links Click here for help
CAS Registry No. 956103-76-7 (source: SciFinder)
ChEMBL Ligand CHEMBL1774461
DrugCentral Ligand 4285
GtoPdb PubChem SID 178103916
PubChem CID 24822371
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Wikipedia Florbetapir