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CHEBI:79033 - florbetaben (18F)

ChEBI IDCHEBI:79033
ChEBI Nameflorbetaben (18F)
Stars
ASCII Nameflorbetaben ((18)F)
DefinitionA member of the class of stilbenoids in which the para-hydrogens of stilbene are replaced by methylamino and 2-{2-[2-(18F)fluoroethoxy]ethoxy}ethoxy) groups. A positron emission tomography imaging ligand for the detection of amyloid aggregation associated with Alzheimer disease.
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC21H26NO3
Net Charge0
Average Mass358.444
Monoisotopic Mass358.19221
SMILESCNc1ccc(/C=C/c2ccc(OCCOCCOCC[18F])cc2)cc1
InChIInChI=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
InChIKeyNCWZOASIUQVOFA-FWZJPQCDSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Applications:
radiopharmaceutical  Any pharmaceutical compound containing a radioisotope.
ChEBI Ontology
Outgoing Relation(s)
florbetaben (18F) (CHEBI:79033) has role radioactive imaging agent (CHEBI:37336)
florbetaben (18F) (CHEBI:79033) is a 18F radiopharmaceutical (CHEBI:49127)
florbetaben (18F) (CHEBI:79033) is a aromatic ether (CHEBI:35618)
florbetaben (18F) (CHEBI:79033) is a polyether (CHEBI:46774)
florbetaben (18F) (CHEBI:79033) is a secondary amino compound (CHEBI:50995)
florbetaben (18F) (CHEBI:79033) is a stilbenoid (CHEBI:26776)
florbetaben (18F) (CHEBI:79033) is a substituted aniline (CHEBI:48975)
IUPAC Name 
4-{(E)-2-[4-(2-{2-[2-(18F)fluoroethoxy]ethoxy}ethoxy)phenyl]ethenyl}-N-methylaniline
INN  Source
florbetaben (18F)KEGG DRUG
Synonyms  Source
Florbetaben F 18ChemIDplus
18F-FlorbetabenChemIDplus
BAY94-9172ChemIDplus
18F-BAY94-9172ChemIDplus
BAY 94-9172ChemIDplus
Florbetaben F-18ChemIDplus
Brand Name  Source
NeuraceqChemIDplus
Manual XrefsDatabases
D10002KEGG DRUG
WO2010000409Patent
US2008025396Patent
US2008253967Patent
WO2013057199Patent
Florbetaben_F18Wikipedia
4818DrugCentral
Registry NumbersSources
Reaxys:11713248Reaxys
CAS:902143-01-5KEGG DRUG
CAS:902143-01-5ChemIDplus
Citations