EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:85992 - panobinostat(1+)

Default Structure
ChEBI IDCHEBI:85992
ChEBI Namepanobinostat(1+)
Stars
DefinitionAn organic cation obtained by protonation of the secondary amino function of panobinostat.
Last Modified10 June 2015
SubmitterSteve
DownloadsMolfile
FormulaC21H24N3O2
Net Charge+1
Average Mass350.442
Monoisotopic Mass350.18630
SMILESCc1nc2ccccc2c1CC[NH2+]Cc1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/p+1/b11-10+
InChIKeyFPOHNWQLNRZRFC-ZHACJKMWSA-O
ChEBI Ontology
Outgoing Relation(s)
panobinostat(1+) (CHEBI:85992) is a ammonium ion derivative (CHEBI:35274)
panobinostat(1+) (CHEBI:85992) is a organic cation (CHEBI:25697)
panobinostat(1+) (CHEBI:85992) is conjugate acid of panobinostat (CHEBI:85990)
Incoming Relation(s)
panobinostat lactate (CHEBI:85991) has part panobinostat(1+) (CHEBI:85992)
panobinostat (CHEBI:85990) is conjugate base of panobinostat(1+) (CHEBI:85992)
IUPAC Name 
N-({4-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}methyl)-2-(2-methyl-1H-indol-3-yl)ethan-1-aminium
Synonym  Source
panobinostat cationChEBI