ioflupane

Ligand id: 7653

Name: ioflupane

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 29.54
Molecular weight 431.08
XLogP 4.86
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (EMA (2000), FDA (2011))
IUPAC Name
methyl (1S,3S,4S,5R)-8-(3-fluoropropyl)-3-(4-iodanylphenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate
International Nonproprietary Names
INN number INN
7500 ioflupane (123I)
Synonyms
123I-FP-CIT | 123I-ioflupane | DaTSCAN®
Database Links
CAS Registry No. 155798-07-5
ChEBI CHEBI:68855
PubChem CID 3086674
Search Google for chemical match using the InChIKey HXWLAJVUJSVENX-HFIFKADTSA-N
Search Google for chemicals with the same backbone HXWLAJVUJSVENX
Search PubMed clinical trials ioflupane
Search PubMed titles ioflupane
Search PubMed titles/abstracts ioflupane
Search UniChem for chemical match using the InChIKey HXWLAJVUJSVENX-HFIFKADTSA-N
Search UniChem for chemicals with the same backbone HXWLAJVUJSVENX
Wikipedia Ioflupane (123I)
Comments
This compound is represented on ChEMBL with slightly different stereochemistry by CHEMBL2096623.