Enzalutamide (MDV3100) 2g

CAT: 0628-A10562-2000Size: 2000 mgDry Ice: NoHazardous: No

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CAT#:0628-A10562-2000Size:2000 mg

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CAS Number

915087-33-1

Chemical Information

Enzalutamide

Enzalutamide is 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 methylamine. Used for the treatment of of metastatic castration-resistant prostate cancer. It has a role as an androgen antagonist and an antineoplastic agent. It is a nitrile, a member of benzamides, a thiocarbonyl compound, an imidazolidinone, a member of (trifluoromethyl)benzenes and a member of monofluorobenzenes.

CAS Number	915087-33-1
PubChem CID	15951529
IUPAC Name	4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluoro-N-methylbenzamide
Molecular Formula	C21H16F4N4O2S
Molecular Weight	464.4
XLogP	3.6
Topological Polar Surface Area	109
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Heavy Atom Count	32
Formal Charge	0
Complexity	839

SMILES

CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)NC)F)C3=CC(=C(C=C3)C#N)C(F)(F)F)C

InChI

InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)

InChIKey

WXCXUHSOUPDCQV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 915087-33-1

CID: 15951529

Formula: C21H16F4N4O2S

MW: 464.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	464.4
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	464.09300959
Monoisotopic Mass	464.09300959
Topological Polar Surface Area	109 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	839
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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A10562-25	Enzalutamide (MDV3100) 25mg
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A10562-100	Enzalutamide (MDV3100) 100mg
A10562-10	Enzalutamide (MDV3100) 10mg
A10562-500	Enzalutamide (MDV3100) 500mg
A10562-5	Enzalutamide (MDV3100) 5mg
A10562-10mM-D	Enzalutamide (MDV3100) 10mM * 1mL in DMSO

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Catalog	Name
A3003-S	MDV3100 (Enzalutamide)
MBS132079-01	MDV3100 Enzalutamide
MBS578579	Enzalutamide (MDV3100)
MBS130369-01	N-desmethyl MDV3100, N-desmethyl-Enzalutamide
sc-364354A	MDV3100
FC65076-01	Enzalutamide

Enzalutamide (MDV3100) 2g

Chemical Information

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