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RU 59063

CAT: 1410-M27328-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M27328-01Size:5 mg
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Description
RU 59063 is a prototype of a new class of high-affinity nonsteroidal androgen receptor (AR) ligands.
CAS Number
155180-53-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
385.41
Molecular Formula
C17H18F3N3O2S
Notes
Research use only, not for human use.
Receptor
VHL

Chemical Information

RU 59063

a non-steroidal antiandrogen; structure given in first source

CAS Number155180-53-3
PubChem CID197655
IUPAC Name4-[3-(4-hydroxybutyl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
Molecular FormulaC17H18F3N3O2S
Molecular Weight385.4
XLogP2.7
Topological Polar Surface Area99.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity614
SMILES
CC1(C(=O)N(C(=S)N1CCCCO)C2=CC(=C(C=C2)C#N)C(F)(F)F)C
InChI
InChI=1S/C17H18F3N3O2S/c1-16(2)14(25)23(15(26)22(16)7-3-4-8-24)12-6-5-11(10-21)13(9-12)17(18,19)20/h5-6,9,24H,3-4,7-8H2,1-2H3
InChIKey
FIDNKDVRTLFETI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of RU 59063
CAS: 155180-53-3
CID: 197655
Formula: C17H18F3N3O2S
MW: 385.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight385.4
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass385.10718249
Monoisotopic Mass385.10718249
Topological Polar Surface Area99.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity614
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

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CatalogName
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