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CHEBI:68855 - ioflupane I123

ChEBI IDCHEBI:68855
ChEBI Nameioflupane I123
Stars
ASCII Nameioflupane I(123)
DefinitionAn azabicycloalkane that is ecgonine methyl ester in which the N-methyl group is replaced by 3-fluoropropyl and the 3β-hydroxy group is replaced by 4-(123I)iodophenyl. Used for the imaging of dopamine transporters in the brain of adult patients with potential Parkinsonian Syndromes.
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC18H23FNO2
Net Charge0
Average Mass427.291
Monoisotopic Mass427.07687
SMILES[H][C@]12CC[C@]([H])([C@@H](C(=O)OC)[C@@H](c3ccc([123I])cc3)C1)N2CCCF
InChIInChI=1S/C18H23FINO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h3-6,14-17H,2,7-11H2,1H3/t14-,15+,16+,17-/m0/s1/i20-4
InChIKeyHXWLAJVUJSVENX-HFIFKADTSA-N
Wikipedia
Roles Classification
Applications:
radiopharmaceutical  Any pharmaceutical compound containing a radioisotope.
ChEBI Ontology
Outgoing Relation(s)
ioflupane I123 (CHEBI:68855) has functional parent ecgonine (CHEBI:4743)
ioflupane I123 (CHEBI:68855) has role radioactive imaging agent (CHEBI:37336)
ioflupane I123 (CHEBI:68855) has role radiopharmaceutical (CHEBI:35232)
ioflupane I123 (CHEBI:68855) is a azabicycloalkane (CHEBI:38295)
ioflupane I123 (CHEBI:68855) is a methyl ester (CHEBI:25248)
ioflupane I123 (CHEBI:68855) is a organofluorine compound (CHEBI:37143)
IUPAC Name 
methyl (1R,2S,3S,5S)-8-(3-fluoropropyl)-3-[4-(123I)iodophenyl]-8-azabicyclo[3.2.1]octane-2-carboxylate
INNs  Source
ioflupanum (123I)WHO MedNet
ioflupane (123I)WHO MedNet
ioflupane (123I)WHO MedNet
ioflupano (123I)WHO MedNet
Synonyms  Source
123I-IoflupaneChemIDplus
ioflupane (123I)ChEBI
123I-FP-CITChemIDplus
Brand Name  Source
DatscanKEGG DRUG
Manual XrefsDatabases
D10014KEGG DRUG
Ioflupane_(123I)Wikipedia
4230DrugCentral
Registry NumbersSources
CAS:155798-07-5ChemIDplus
Citations