nilutamide   

GtoPdb Ligand ID: 2864

Synonyms: Nilandron®
nilutamide is an approved drug (FDA (1996))
Compound class: Synthetic organic
Comment: Nilutamide is a synthetic, non-steroidal, pure antiandrogen.
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 92.55
Molecular weight 317.06
XLogP 2.27
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C1NC(C(=O)N1c1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])(C)C
Isomeric SMILES O=C1NC(C(=O)N1c1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])(C)C
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)
InChI Key XWXYUMMDTVBTOU-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1996))
IUPAC Name
5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
International Nonproprietary Names
INN number INN
5755 nilutamide
Synonyms
Nilandron®
Database Links
BindingDB Ligand 50135912
CAS Registry No. 63612-50-0 (source: Scifinder)
ChEMBL Ligand CHEMBL1274
DrugBank Ligand DB00665
DrugCentral Ligand 1933
GtoPdb PubChem SID 135650719
NURSA Ligand 10.1621/LG99DJZ3Z3
PubChem CID 4493
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Search UniChem for chemical match using the InChIKey XWXYUMMDTVBTOU-UHFFFAOYSA-N
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Wikipedia Nilutamide

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Tocris
Nilutamide
Cat. No. 1759