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Topilutamide

CAT: 0931-T13184-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T13184-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
260980-89-0
Target
Others, Androgen Receptor
Related Pathways
Others, Endocrinology/Hormones
Purity
0.9924
Bioactivity
Topilutamide (Fluridil) is a topical nonsteroidal antiandrogen.
Smiles
CC(O)(CNC(=O)C(F)(F)F)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Molecular Formula
C13H11F6N3O5
Molecular Weight
403.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Fluridil

structure in first source

CAS Number260980-89-0
PubChem CID9930988
IUPAC Name2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-[(2,2,2-trifluoroacetyl)amino]propanamide
Molecular FormulaC13H11F6N3O5
Molecular Weight403.23
XLogP1.8
Topological Polar Surface Area124
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity590
SMILES
CC(CNC(=O)C(F)(F)F)(C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F)O
InChI
InChI=1S/C13H11F6N3O5/c1-11(25,5-20-10(24)13(17,18)19)9(23)21-6-2-3-8(22(26)27)7(4-6)12(14,15)16/h2-4,25H,5H2,1H3,(H,20,24)(H,21,23)
InChIKey
YCNCRLKXSLARFT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fluridil
CAS: 260980-89-0
CID: 9930988
Formula: C13H11F6N3O5
MW: 403.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight403.23
XLogP31.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Exact Mass403.06028943
Monoisotopic Mass403.06028943
Topological Polar Surface Area124 Ų
Heavy Atom Count27
Formal Charge0
Complexity590
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes