EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:748159 - iobenguane

Default Structure
ChEBI IDCHEBI:748159
ChEBI Nameiobenguane
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC8H10IN3
Net Charge0
Average Mass275.093
Monoisotopic Mass274.99195
SMILESN=C(N)NCc1cccc(I)c1
InChIInChI=1S/C8H10IN3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5H2,(H4,10,11,12)
InChIKeyPDWUPXJEEYOOTR-UHFFFAOYSA-N
Roles Classification
Applications:
cardiovascular drug  A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
iobenguane (CHEBI:748159) has role antineoplastic agent (CHEBI:35610)
iobenguane (CHEBI:748159) has role cardiovascular drug (CHEBI:35554)
iobenguane (CHEBI:748159) is a organoiodine compound (CHEBI:37142)
Synonym  Source
Iobenguane (127-i)ChEMBL
Citations