IOFLUPANE I 123

Search structure
Synonyms:
Status: Approved (2011)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 3MM99T8R5Q

Structure
InChI Key HXWLAJVUJSVENX-HFIFKADTSA-N
Smile COC(=O)[C@H]1[C@@H](c2ccc([123I])cc2)C[C@@H]2CC[C@H]1N2CCCF
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H23FINO2
Molecular Weight 427.29
AlogP 3.76
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 29.54
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 23.0

Pharmacology

Action Mechanism of Action Reference
None Diagnostic agent DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Parkinson Disease 2 D010300 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 68855
ChEMBL CHEMBL3989517
DrugBank DB08824
DrugCentral 4230
FDA SRS 3MM99T8R5Q
Guide to Pharmacology 7653
SureChEMBL SCHEMBL16472968
ZINC ZINC000100091991
CONTENTS