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Product Overview

Product Code

TRC-A726120

CAS Number

956104-40-8

Product Format

Neat

Molecular Formula

C21 H15 F4 N5 O2 S

Molecular Weight

477.4347

API Family

Apalutamide

Product Categories

TRC, Pharmaceutical Toxicology Reference Materials , Chiral catalysts, ligands, & reagents, Building Blocks

Product Type

API, Synthesis tool

Documentation

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Product Information

Chemical Data

Analyte Name

Apalutamide

CAS Number

956104-40-8

Molecular Formula

C21 H15 F4 N5 O2 S

Molecular Weight

477.4347

Accurate Mass

477.0883

SMILES

CNC(=O)c1ccc(cc1F)N2C(=S)N(C(=O)C23CCC3)c4cnc(C#N)c(c4)C(F)(F)F

InChI

InChI=1S/C21H15F4N5O2S/c1-27-17(31)13-4-3-11(8-15(13)22)30-19(33)29(18(32)20(30)5-2-6-20)12-7-14(21(23,24)25)16(9-26)28-10-12/h3-4,7-8,10H,2,5-6H2,1H3,(H,27,31)

IUPAC

4-[7-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Apalutamide

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