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Details

Stereochemistry RACEMIC
Molecular Formula C18H14F4N2O3S
Molecular Weight 414.374
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(4-CYANO-3-(TRIFLUOROMETHYL)PHENYL)-3-((4-FLUOROPHENYL)SULFINYL)-2.ALPHA.-HYDROXY-2-METHYLPROPANAMIDE

SMILES

C[C@](O)(C[S@@+]([O-])C1=CC=C(F)C=C1)C(=O)NC2=CC=C(C#N)C(=C2)C(F)(F)F

InChI

InChIKey=MHWPKBKCPXTKJS-YMGMXPECSA-N
InChI=1S/C18H14F4N2O3S/c1-17(26,10-28(27)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-,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H14F4N2O3S
Molecular Weight 414.374
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:35:13 GMT 2023
Edited
by admin
on Sat Dec 16 01:35:13 GMT 2023
Record UNII
OTQ543YNBF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(4-CYANO-3-(TRIFLUOROMETHYL)PHENYL)-3-((4-FLUOROPHENYL)SULFINYL)-2.ALPHA.-HYDROXY-2-METHYLPROPANAMIDE
Common Name English
BICALUTAMIDE IMPURITY E [EP IMPURITY]
Common Name English
(2RS)-N-(4-CYANO-3-(TRIFLUOROMETHYL)PHENYL)-3-((4-FLUOROPHENYL)SULFINYL)-2.ALPHA.-HYDROXY-2-METHYLPROPANAMIDE
Common Name English
(2RS)-N-(4-CYANO-3-(TRIFLUOROMETHYL)PHENYL)-3-((RS)-(4-FLUOROPHENYL)SULFINYL)-2-HYDROXY-2-METHYLPROPANAMIDE, .ALPHA.HYDROXY-
Common Name English
Code System Code Type Description
CAS
945419-64-7
Created by admin on Sat Dec 16 01:35:13 GMT 2023 , Edited by admin on Sat Dec 16 01:35:13 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
OTQ543YNBF
Created by admin on Sat Dec 16 01:35:13 GMT 2023 , Edited by admin on Sat Dec 16 01:35:13 GMT 2023
PRIMARY
PUBCHEM
76969559
Created by admin on Sat Dec 16 01:35:13 GMT 2023 , Edited by admin on Sat Dec 16 01:35:13 GMT 2023
PRIMARY