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CHEBI:231334 - givinostat(1+)

ChEBI IDCHEBI:231334
ChEBI Namegivinostat(1+)
Stars
DefinitionA tertiary ammonium ion that is the conjugate acid of givinostat resulting from the protonation of the tertiary amino group; Major species at pH 7.3.
Last Modified8 May 2024
SubmitterAdnan
DownloadsMolfile
FormulaC24H28N3O4
Net Charge+1
Average Mass422.505
Monoisotopic Mass422.20743
SMILESCC[NH+](CC)Cc1ccc2cc(COC(=O)Nc3ccc(C(=O)NO)cc3)ccc2c1
InChIInChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)/p+1
InChIKeyYALNUENQHAQXEA-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
givinostat(1+) (CHEBI:231334) is a tertiary ammonium ion (CHEBI:137982)
givinostat(1+) (CHEBI:231334) is conjugate acid of givinostat (CHEBI:94187)
Incoming Relation(s)
givinostat hydrochloride (CHEBI:231333) has part givinostat(1+) (CHEBI:231334)
givinostat (CHEBI:94187) is conjugate base of givinostat(1+) (CHEBI:231334)
IUPAC Name 
N-ethyl-N-({6-[({[4-(hydroxycarbamoyl)phenyl]carbamoyl}oxy)methyl]naphthalen-2-yl}methyl)ethanaminium
Synonym  Source
givinostat cationChEBI