IOBENGUANE I 131

Search structure
Synonyms:
Status: Approved (2018)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: Q461L7AK4R

Structure
InChI Key PDWUPXJEEYOOTR-JRGAVVOBSA-N
Smile N=C(N)NCc1cccc([131I])c1
InChI
InChI=1S/C8H10IN3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5H2,(H4,10,11,12)/i9+4

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H10IN3
Molecular Weight 279.1
AlogP 1.27
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 61.9
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 12.0

Pharmacology

Action Mechanism of Action Reference
SUBSTRATE Norepinephrine transporter substrate FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Paraganglioma 4 D010235 FDA
Carcinoid Tumor 1 D002276 ClinicalTrials

Cross References

Resources Reference
ChEBI 135997
ChEMBL CHEMBL1615779
DrugCentral 4577
EPA CompTox DTXSID30228311
FDA SRS Q461L7AK4R
SureChEMBL SCHEMBL13092741
ZINC ZINC000100521112
CONTENTS