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CHEBI:79369 - elesclomol

ChEBI IDCHEBI:79369
ChEBI Nameelesclomol
Stars
DefinitionA carbohydrazide obtained by formal condensation of the carboxy groups of malonic acid with the hydrino groups of two molar equivalents of N-methylbenzenecarbothiohydrazide
Last Modified25 February 2016
SubmitterSteve
DownloadsMolfile
FormulaC19H20N4O2S2
Net Charge0
Average Mass400.529
Monoisotopic Mass400.10277
SMILESCN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1
InChIInChI=1S/C19H20N4O2S2/c1-22(18(26)14-9-5-3-6-10-14)20-16(24)13-17(25)21-23(2)19(27)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyBKJIXTWSNXCKJH-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
elesclomol (CHEBI:79369) has functional parent malonic acid (CHEBI:30794)
elesclomol (CHEBI:79369) has role antineoplastic agent (CHEBI:35610)
elesclomol (CHEBI:79369) has role apoptosis inducer (CHEBI:68495)
elesclomol (CHEBI:79369) is a carbohydrazide (CHEBI:35363)
elesclomol (CHEBI:79369) is a thiocarbonyl compound (CHEBI:50492)
Incoming Relation(s)
elesclomol-Cu(II) (CHEBI:79377) has part elesclomol (CHEBI:79369)
IUPAC Name 
N'1,N'3-dimethyl-N'1,N'3-bis(phenylcarbonothioyl)malonohydrazide
INNs  Source
elesclomolChemIDplus
elesclomolumWHO MedNet
elesclomolWHO MedNet
élesclomolWHO MedNet
Synonym  Source
1-N'-Benzenecarbothioyl-3-(2-benzenecarbothioyl-2-methylhydrazinyl)-N'-methyl-oxopropanehydrazidideChemIDplus
Manual XrefsDatabases
D08909KEGG DRUG
ElesclomolWikipedia
WO2011133673Patent
LSM-4929LINCS
Registry NumbersSources
Reaxys:11332608Reaxys
CAS:488832-69-5KEGG DRUG
CAS:488832-69-5ChemIDplus
Citations