EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:748336 - irindalone

Default Structure
ChEBI IDCHEBI:748336
ChEBI Nameirindalone
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC24H29FN4O
Net Charge0
Average Mass408.521
Monoisotopic Mass408.23254
SMILESO=C1NCCN1CCN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccccc32)CC1
InChIInChI=1S/C24H29FN4O/c25-19-7-5-18(6-8-19)22-17-23(21-4-2-1-3-20(21)22)28-14-11-27(12-15-28)13-16-29-10-9-26-24(29)30/h1-8,22-23H,9-17H2,(H,26,30)/t22-,23+/m0/s1
InChIKeyGHAMYXPEZSUOCU-XZOQPEGZSA-N
ChEBI Ontology
Outgoing Relation(s)
irindalone (CHEBI:748336) is a indanes (CHEBI:46940)
INNs  Source
irindalonaWHO MedNet
irindaloneWHO MedNet
Citations