ioflupane I(123) (CHEBI:68855)

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ChEBI Name	ioflupane I¹²³

ChEBI ID	CHEBI:68855

ChEBI ASCII Name	ioflupane I(123)

Definition	An 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.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C18H23F[123I]NO2

Net Charge

Average Mass

427.291

Monoisotopic Mass

427.07688

InChI

InChI=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

InChIKey

HXWLAJVUJSVENX-HFIFKADTSA-N

SMILES

[H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc([123I])cc1)C(=O)OC)N2CCCF

Roles Classification
Application(s):	radioactive imaging agent radiopharmaceutical Any pharmaceutical compound containing a radioisotope.

ChEBI Ontology
Outgoing	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

Brand Name	Source
Datscan	KEGG DRUG

Registry Number	Type	Source
155798-07-5	CAS Registry Number	ChemIDplus

Last Modified

22 February 2017