4-(7-(6-CYANO-5-(TRIFLUOROMETHYL)PYRIDIN-3-YL)-8-OXO-6-THIOXO-5,7-DIAZASPIRO(3.4)OCTAN-5-YL)-2-FLUOROBENZOIC ACID

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

Structure Search

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

Approval Year

Name

Type

Language

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

ARN000066

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 Sat Dec 16 14:04:10 GMT 2023 , Edited by admin on Sat Dec 16 14:04:10 GMT 2023

PRIMARY

FDA UNII

Y58Z86OCE2

Created by admin on Sat Dec 16 14:04:10 GMT 2023 , Edited by admin on Sat Dec 16 14:04:10 GMT 2023

PRIMARY

CAS

1332391-04-4

Created by admin on Sat Dec 16 14:04:10 GMT 2023 , Edited by admin on Sat Dec 16 14:04:10 GMT 2023

PRIMARY

PARENT (METABOLITE INACTIVE)


					4T36H88UA7

APALUTAMIDE

SUBSTANCE RECORD


					Y58Z86OCE2

4-(7-(6-CYANO-5-(TRIFLUOROMETHYL)PYRIDIN-3-YL)-8-OXO-6-THIOXO-5,7-DIAZASPIRO(3.4)OCTAN-5-YL)-2-FLUOROBENZOIC ACID