N-desmethylenzalutamide (CHEBI:68538)

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ChEBI Name	N-desmethylenzalutamide

ChEBI ID	CHEBI:68538

ChEBI ASCII Name	N-desmethylenzalutamide

Definition	A benzamide obtained by formal condensation of the carboxy group of 4-{3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl}-2-fluorobenzoic acid with ammonia.

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

Supplier Information

Download	Molfile XML SDF

Formula

C20H14F4N4O2S

Net Charge

Average Mass

450.40900

Monoisotopic Mass

450.07736

InChI

InChI=1S/C20H14F4N4O2S/c1-19(2)17(30)27(11-4-3-10(9-25)14(7-11)20(22,23)24)18(31)28(19)12-5-6-13(16(26)29)15(21)8-12/h3-8H,1-2H3,(H2,26,29)

InChIKey

JSFOGZGIBIQRPU-UHFFFAOYSA-N

SMILES

CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(N)=O)c(F)c1

Roles Classification
Biological Role(s):	androgen antagonist A compound which inhibits or antagonises the biosynthesis or actions of androgens.

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. androgen antagonist A compound which inhibits or antagonises the biosynthesis or actions of androgens.

ChEBI Ontology
Outgoing	N-desmethylenzalutamide (CHEBI:68538) has role androgen antagonist (CHEBI:35497) N-desmethylenzalutamide (CHEBI:68538) has role antineoplastic agent (CHEBI:35610) N-desmethylenzalutamide (CHEBI:68538) is a (trifluoromethyl)benzenes (CHEBI:83565) N-desmethylenzalutamide (CHEBI:68538) is a benzamides (CHEBI:22702) N-desmethylenzalutamide (CHEBI:68538) is a imidazolidinone (CHEBI:55370) N-desmethylenzalutamide (CHEBI:68538) is a monofluorobenzenes (CHEBI:83575) N-desmethylenzalutamide (CHEBI:68538) is a nitrile (CHEBI:18379) N-desmethylenzalutamide (CHEBI:68538) is a thiocarbonyl compound (CHEBI:50492)

IUPAC Name

4-{3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl}-2-fluorobenzamide

Synonym	Source
N-desmethyl enzalutamide	ChEBI

Registry Number	Type	Source
20830878	Reaxys Registry Number	Reaxys

Last Modified

11 November 2014