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Details

Stereochemistry RACEMIC
Molecular Formula C18H15F3N2O4S
Molecular Weight 412.3847
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESFLUORO BICALUTAMIDE

SMILES

CC(CS(=O)(=O)c1ccccc1)(C(=Nc2ccc(C#N)c(c2)C(F)(F)F)O)O

InChI

InChIKey=GDXNOJUTJPBYEC-UHFFFAOYSA-N
InChI=1S/C18H15F3N2O4S/c1-17(25,11-28(26,27)14-5-3-2-4-6-14)16(24)23-13-8-7-12(10-22)15(9-13)18(19,20)21/h2-9,25H,11H2,1H3,(H,23,24)

HIDE SMILES / InChI

Molecular Formula C18H15F3N2O4S
Molecular Weight 412.3847
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 12:54:11 UTC 2021
Edited
by admin
on Sat Jun 26 12:54:11 UTC 2021
Record UNII
15LQ88H10F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DESFLUORO BICALUTAMIDE
Common Name English
BICALUTAMIDE IMPURITY A [EP]
Common Name English
N-(4-CYANO-3-(TRIFLUOROMETHYL)PHENYL)-2-HYDROXY-2-METHYL-3-(PHENYLSULFONYL)PROPANAMIDE
Systematic Name English
PROPANAMIDE, N-(4-CYANO-3-(TRIFLUOROMETHYL)PHENYL)-2-HYDROXY-2-METHYL-3-(PHENYLSULFONYL)-
Systematic Name English
PROPANAMIDE, N-(4-CYANO-3-(TRIFLUOROMETHYL)PHENYL)-2-HYDROXY-2-METHYL-3-(PHENYLSULFONYL)-, (+/-)-
Systematic Name English
(+/-)-DESFLUORO BICALUTAMIDE
Common Name English
(2RS)-N-(4-CYANO-3-(TRIFLUOROMETHYL)PHENYL)-2-HYDROXY-2-METHYL-3-(PHENYLSULFONYL)PROPANAMIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
10112342
Created by admin on Sat Jun 26 12:54:11 UTC 2021 , Edited by admin on Sat Jun 26 12:54:11 UTC 2021
PRIMARY
FDA UNII
15LQ88H10F
Created by admin on Sat Jun 26 12:54:11 UTC 2021 , Edited by admin on Sat Jun 26 12:54:11 UTC 2021
PRIMARY
CAS
90357-05-4
Created by admin on Sat Jun 26 12:54:11 UTC 2021 , Edited by admin on Sat Jun 26 12:54:11 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
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