EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:231348 - IPAG

Default Structure
ChEBI IDCHEBI:231348
ChEBI NameIPAG
Stars
DefinitionIPAG is a potent sigma-receptor antagonist.
Submitterdelphine
DownloadsMolfile
FormulaC17H22IN3
Net Charge0
Average Mass395.288
Monoisotopic Mass395.08585
SMILESN=C(Nc1ccc(I)cc1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H22IN3/c18-14-1-3-15(4-2-14)20-17(19)21-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16H,5-9H2,(H3,19,20,21)
InChIKeyUUKPIWYXWLJPJF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
IPAG (CHEBI:231348) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
1-(4-Iodophenyl)-3-(2-adamantyl)guanidine
Registry NumbersSources
CAS:193527-91-2SUBMITTER