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Details

Stereochemistry ACHIRAL
Molecular Formula C20H12F4N4O3S
Molecular Weight 464.393
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(7-(6-Cyano-5-(trifluoromethyl)pyridin-3-yl)-8-oxo-6-thioxo-5,7-diazaspiro(3.4)octan-5-yl)-2-fluorobenzoic acid

SMILES

OC(=O)C1=CC=C(C=C1F)N2C(=S)N(C(=O)C23CCC3)C4=CC(=C(N=C4)C#N)C(F)(F)F

InChI

InChIKey=ICXCBGDFYFFSGX-UHFFFAOYSA-N
InChI=1S/C20H12F4N4O3S/c21-14-7-10(2-3-12(14)16(29)30)28-18(32)27(17(31)19(28)4-1-5-19)11-6-13(20(22,23)24)15(8-25)26-9-11/h2-3,6-7,9H,1,4-5H2,(H,29,30)

HIDE SMILES / InChI

Molecular Formula C20H12F4N4O3S
Molecular Weight 464.393
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 22:06:18 GMT 2025
Edited
by admin
on Tue Apr 01 22:06:18 GMT 2025
Record UNII
Y58Z86OCE2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ARN000066
Preferred Name English
4-(7-(6-Cyano-5-(trifluoromethyl)pyridin-3-yl)-8-oxo-6-thioxo-5,7-diazaspiro(3.4)octan-5-yl)-2-fluorobenzoic acid
Systematic Name English
JNJ-56142021
Code English
APALUTAMIDE METABOLITE M4
Common Name English
BENZOIC ACID, 4-(7-(6-CYANO-5-(TRIFLUOROMETHYL)-3-PYRIDINYL)-8-OXO-6-THIOXO-5,7-DIAZASPIRO(3.4)OCT-5-YL)-2-FLUORO-
Systematic Name English
Code System Code Type Description
PUBCHEM
86683488
Created by admin on Tue Apr 01 22:06:18 GMT 2025 , Edited by admin on Tue Apr 01 22:06:18 GMT 2025
PRIMARY
FDA UNII
Y58Z86OCE2
Created by admin on Tue Apr 01 22:06:18 GMT 2025 , Edited by admin on Tue Apr 01 22:06:18 GMT 2025
PRIMARY
CAS
1332391-04-4
Created by admin on Tue Apr 01 22:06:18 GMT 2025 , Edited by admin on Tue Apr 01 22:06:18 GMT 2025
PRIMARY
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