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Nilutamide

CAT: 0926-FN26218-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0926-FN26218-01Size:5 g
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CAS Number
63612-50-0
Synonyms
5,5-Dimethyl-3-[4-nitro-3- (trifluoromethyl) phenyl]-2,4-imidazolidinedion;1-3-Trifluoromethyl-4-nitrophenyl) -4,4-dimethylimidazoline- 2,5-dione; Anandron
MDL Number
MFCD00864670
Smiles
CC1 (C (=O) N (C (=O) N1) C2=CC (=C (C=C2) [N+] (=O) [O-]) C (F) (F) F) C
Molecular Formula
C12H10F3N3O4
Molecular Weight
317.22 g/mol
Controlled
No

Chemical Information

Nilutamide

Nilutamide is a C-nitro compound, an imidazolidinone and a member of (trifluoromethyl)benzenes. It has a role as an androgen antagonist and an antineoplastic agent.

CAS Number63612-50-0
PubChem CID4493
IUPAC Name5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
Molecular FormulaC12H10F3N3O4
Molecular Weight317.22
XLogP2
Topological Polar Surface Area95.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity515
SMILES
CC1(C(=O)N(C(=O)N1)C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)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)
InChIKey
XWXYUMMDTVBTOU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nilutamide
CAS: 63612-50-0
CID: 4493
Formula: C12H10F3N3O4
MW: 317.22
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight317.22
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass317.06234029
Monoisotopic Mass317.06234029
Topological Polar Surface Area95.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity515
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3845596-01Nilutamide
CS-O-06814Nilutamide-d6
A21165-200Nilutamide 200mg
A21165-500Nilutamide 500mg
A21165-100Nilutamide 100mg
HY-13702RNilutamide (Standard)

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