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CHEBI:231335 - givinostat hydrochloride monohydrate

ChEBI IDCHEBI:231335
ChEBI Namegivinostat hydrochloride monohydrate
Stars
DefinitionThe monohydrate form of givinostat hydrochloride. It is a histone deacetylase inhibitor indicated for the treatment of Duchenne muscular dystrophy in patients 6 years of age and older.
Last Modified8 May 2024
SubmitterAdnan
DownloadsMolfile
FormulaC24H27N3O4.H2O.HCl
Net Charge0
Average Mass475.973
Monoisotopic Mass475.18740
SMILESCCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(C(=O)NO)cc3)ccc2c1.Cl.O
InChIInChI=1S/C24H27N3O4.ClH.H2O/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);1H;1H2
InChIKeyFKGKZBBDJSKCIS-UHFFFAOYSA-N
Roles Classification
Biological Roles:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
EC 3.5.1.98 (histone deacetylase) inhibitor  An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the function of histone deacetylase (EC 3.5.1.98).
Applications:
angiogenesis inhibitor  An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
givinostat hydrochloride monohydrate (CHEBI:231335) has part givinostat hydrochloride (CHEBI:231333)
givinostat hydrochloride monohydrate (CHEBI:231335) has role angiogenesis inhibitor (CHEBI:48422)
givinostat hydrochloride monohydrate (CHEBI:231335) has role anti-inflammatory agent (CHEBI:67079)
givinostat hydrochloride monohydrate (CHEBI:231335) has role antineoplastic agent (CHEBI:35610)
givinostat hydrochloride monohydrate (CHEBI:231335) has role apoptosis inducer (CHEBI:68495)
givinostat hydrochloride monohydrate (CHEBI:231335) has role EC 3.5.1.98 (histone deacetylase) inhibitor (CHEBI:61115)
givinostat hydrochloride monohydrate (CHEBI:231335) is a hydrate (CHEBI:35505)
IUPAC Name 
{6-[(diethylamino)methyl]naphthalen-2-yl}methyl [4-(hydroxycarbamoyl)phenyl]carbamate hydrochloride hydrate
Synonyms  Source
{6-[(diethylamino)methyl]naphthalen-2-yl}methyl [4-(hydroxycarbamoyl)phenyl]carbamate—hydrogen chloride—water (1/1/1)IUPAC
givinostat hydrochloride hydrateKEGG DRUG
[6-(diethylaminomethyl)naphthalen-2-yl]methyl[4(hydroxycarbamoyl)phenyl]carbamate hydrochloride monohydrateChEBI
Brand Name  Source
DuvyzatKEGG DRUG
Manual XrefsDatabases
D12743KEGG DRUG
DBSALT003496DrugBank
Registry NumbersSources
CAS:732302-99-7KEGG DRUG