Bicalutamide

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Systematic / IUPAC Name: N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide

ID: Reference1002

Other Names: Propanamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methyl-;
Casodex;
Cosudex;
Calutide;
Kalumid

Formula: C18H14F4N2O4S

Class: Therapeutics/Prescription Drugs

Spectral Data

Bicalutamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments LTQ Orbitrap XL
No. of Spectral Trees 2
No. of Spectra 121
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 8/1/2014 12:20:38 PM
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Identificators

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)
InChI Key LKJPYSCBVHEWIU-UHFFFAOYSA-N
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
CAS 90357065
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Other Names Propanamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methyl-;
Casodex;
Cosudex;
Calutide;
Kalumid;
Raffolutil

In Other Databases

KEGG C08160
PubChem 2375
Wikipedia Bicalutamide
ChEMBL CHEMBL409
ChemSpider 2284