Product Code

TRC-B382012

CAS Number

1217769-79-3

Product Format

Neat

Molecular Formula

C18 D4 H10 F4 N2 O4 S

Molecular Weight

434.398

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled, Bioactive Small Molecule

Unlabelled CAS Number

113299-38-0

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

(S)-Bicalutamide-D4

CAS Number

1217769-79-3

Molecular Formula

C18 D4 H10 F4 N2 O4 S

Molecular Weight

434.398

Accurate Mass

434.086

SMILES

[2H]c1c([2H])c(c([2H])c([2H])c1F)S(=O)(=O)C[C@@](C)(O)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F

InChI

InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)/t17-/m1/s1/i3D,4D,6D,7D

IUPAC

(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(2,3,5,6-tetradeuterio-4-fluorophenyl)sulfonylpropanamide

Unlabelled CAS Number

113299-38-0

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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(S)-Bicalutamide-D4

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