CHEBI:85992 - panobinostat(1+)

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ChEBI Name panobinostat(1+) ChEBI ID CHEBI:85992 Definition An organic cation obtained by protonation of the secondary amino function of panobinostat. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C21H24N3O2 Net Charge +1 Average Mass 350.43360 Monoisotopic Mass 350.18630 InChI InChI=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+ InChIKey FPOHNWQLNRZRFC-ZHACJKMWSA-O SMILES Cc1[nH]c2ccccc2c1CC[NH2+]Cc1ccc(\C=C\C(=O)NO)cc1 ChEBI Ontology Outgoing 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 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 cation ChEBI Last Modified 10 June 2015