MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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nilutamide

	Properties	Image
MNX_ID	MNXM64642
reference	chebi:7573
formula	C₁₂H₁₀F₃N₃O₄
global charge	0
mol weight	317.223
InChIKey	XWXYUMMDTVBTOU-UHFFFAOYSA-N
InChI	InChI=1S/C12H10F3N3O4/c1-11(2)9(19)17(10(20)16-11)6-3-4-8(18(21)22)7(5-6)12(13,14)15/h3-5H,1-2H3,(H,16,20)
SMILES	CC1(C)NC(=O)N(C2=CC=C([N+](=O)[O-])C(C(F)(F)F)=C2)C1=O

MNX internals

InChI (mnx)	InChI=1/C12H10F3N3O4/c1-11(2)9(19)17(10(20)16-11)6-3-4-8(18(21)22)7(5-6)12(13,14)15/h3-5H,1-2H3,(H,16,20)
SMILES (mnx)	[CH3:1][C:11]1([CH3:2])[C:9](=[O:19])[N:17]([C:6]2=[CH:5][C:7]([C:12]([F:13])([F:14])[F:15])=[C:8]([N+:18]([O-:21])=[O:22])[CH:4]=[CH:3]2)[C:10]([OH:20])=[N:16]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:7573 chebi:7573 XWXYUMMDTVBTOU-UHFFFAOYSA-N	nilutamide 5,5-Dimethyl-3-(alpha,alpha,alpha-trifluoro-4-nitro-m-tolyl)hydantoin 5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione Nilandron Nilutamide nilutamida nilutamidum
seed.compound:cpd05123 seedM:cpd05123 kegg.compound:C08164 keggC:C08164 XWXYUMMDTVBTOU-UHFFFAOYSA-N	Nilutamide
kegg.drug:D00965 keggD:D00965 XWXYUMMDTVBTOU-UHFFFAOYSA-N	Nilutamide (USAN/INN) Nilandron (TN)
hmdb:HMDB0014803 XWXYUMMDTVBTOU-UHFFFAOYSA-N	Nilutamide 5,5-Dimethyl-3-(4-nitro-3-(trifluoromethyl)phenyl)- 2,4-imidazolidinedione 5,5-Dimethyl-3-(a,a,a-trifluoro-4-nitro-m-tolyl)hydantoin 5,5-Dimethyl-3-(alpha,alpha,alpha-trifluoro-4-nitro-m-tolyl)hydantoin 5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione Anandron Aventis behring brand OF nilutamide Aventis brand OF nilutamide Hoechst brand OF nilutamide Nilandron Nilutamida Nilutamidum nilutamide
hmdb:HMDB14803 keggC:M_C08164 keggD:M_D00965 seedM:M_cpd05123	secondary/obsolete/fantasy identifier