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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
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
(2
S
)-
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
View more database links
Registry Number
Type
Source
113299-38-0
CAS Registry Number
ChemIDplus
Citations
Types
Sources
15509184
PubMed citation
Europe PMC
23288837
PubMed citation
Europe PMC
23527766
PubMed citation
Europe PMC
Last Modified
18 July 2019