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Bicalutamide-[d4]

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General Information
Catalog: BLP-011812
CAS: 1185035-71-5
Molecular Formula: C18H10D4F4N2O4S
Molecular Weight: 434.41

Chemical Structure

Description	Bicalutamide-[d4] is the labelled analogue of Bicalutamide. Bicalutamide is a non-steroidal androgen receptor (AR) antagonist with IC50 of 0.16 μM. It is commonly used for the treatment of prostate cancer.
Synonyms	Bicalutamide D4; N-[4-Cyano-3-trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide-d4; ICI-176334-d4; Casodex-d4
IUPAC Name	N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(2,3,5,6-tetradeuterio-4-fluorophenyl)sulfonylpropanamide
Related CAS	90357-06-5 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1F)[2H])[2H])S(=O)(=O)CC(C)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O)[2H]
Canonical SMILES	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O
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)/i3D,4D,6D,7D
InChI Key	LKJPYSCBVHEWIU-ZDPIWEEJSA-N
Melting Point	190-192°C
Purity	≥97% by HPLC; ≥98% atom D
Solubility	Soluble in Chloroform (Slightly, Heated), Methanol (Slightly, Sonicated)
Appearance	White to Off-White Solid
Storage	Store at -20°C