CHEBI:144094 - (S)-bicalutamide

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ChEBI Name (S)-bicalutamide
ChEBI ID CHEBI:144094
ChEBI ASCII Name (S)-bicalutamide
Definition A N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide that is the (S)-enantiomer of bicalutamide.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C18H14F4N2O4S
Net Charge 0
Average Mass 430.370
Monoisotopic Mass 430.06104
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
InChIKey LKJPYSCBVHEWIU-QGZVFWFLSA-N
SMILES C=1(C(=CC=C(C1)NC([C@@](CS(C=2C=CC(=CC2)F)(=O)=O)(O)C)=O)C#N)C(F)(F)F
ChEBI Ontology
Outgoing (S)-bicalutamide (CHEBI:144094) is a N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide (CHEBI:144093)
(S)-bicalutamide (CHEBI:144094) is enantiomer of (R)-bicalutamide (CHEBI:39589)
Incoming bicalutamide (CHEBI:3090) has part (S)-bicalutamide (CHEBI:144094)
(R)-bicalutamide (CHEBI:39589) is enantiomer of (S)-bicalutamide (CHEBI:144094)
IUPAC Name
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide
Synonyms Sources
(+)-bicalutamide ChemIDplus
(S)-Casodex ChemIDplus
Manual Xref Database
0U9 PDBeChem
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Registry Number Type Source
113299-38-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
15509184 PubMed citation Europe PMC
23288837 PubMed citation Europe PMC
23527766 PubMed citation Europe PMC
Last Modified
18 July 2019