ioflupane   Click here for help

GtoPdb Ligand ID: 7653

Synonyms: 123I-FP-CIT | 123I-ioflupane | DaTSCAN®
Approved drug
ioflupane is an approved drug (EMA (2000), FDA (2011))
Compound class: Synthetic organic
Comment: This compound is represented on ChEMBL with slightly different stereochemistry by CHEMBL2096623.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 29.54
Molecular weight 431.08
XLogP 4.31
No. Lipinski's rules broken 0
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Canonical SMILES FCCCN1C2CCC1C(C(C2)c1ccc(cc1)I)C(=O)OC
Isomeric SMILES FCCCN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(cc1)[123I])C(=O)OC
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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (EMA (2000), FDA (2011))
IUPAC Name Click here for help
methyl (1S,3S,4S,5R)-8-(3-fluoropropyl)-3-(4-iodanylphenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate
International Nonproprietary Names Click here for help
INN number INN
7500 ioflupane (123I)
Synonyms Click here for help
123I-FP-CIT | 123I-ioflupane | DaTSCAN®
Database Links Click here for help
CAS Registry No. 155798-07-5
DrugCentral Ligand 4230
GtoPdb PubChem SID 223365988
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
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Search PubMed titles/abstracts ioflupane
UniChem Compound Search for chemical match using the InChIKey HXWLAJVUJSVENX-HFIFKADTSA-N
UniChem Connectivity Search for chemical match using the InChIKey HXWLAJVUJSVENX-HFIFKADTSA-N
Wikipedia Ioflupane (123I)