elesclomol (CHEBI:79369)

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ChEBI Name	elesclomol

ChEBI ID	CHEBI:79369

Definition	A carbohydrazide obtained by formal condensation of the carboxy groups of malonic acid with the hydrino groups of two molar equivalents of N-methylbenzenecarbothiohydrazide

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C19H20N4O2S2

Net Charge

Average Mass

400.51800

Monoisotopic Mass

400.10277

InChI

InChI=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)

InChIKey

BKJIXTWSNXCKJH-UHFFFAOYSA-N

SMILES

CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1

Roles Classification
Biological Role(s):	apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	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	elesclomol-Cu(II) (CHEBI:79377) has part elesclomol (CHEBI:79369)

IUPAC Name

N'¹,N'³-dimethyl-N'¹,N'³-bis(phenylcarbonothioyl)malonohydrazide

Synonym	Source
1-N'-Benzenecarbothioyl-3-(2-benzenecarbothioyl-2-methylhydrazinyl)-N'-methyl-oxopropanehydrazidide	ChemIDplus

Last Modified

25 February 2016