2-(5-(8-(4-CARBOXY-3-FLUORO-PHENYL)-5-OXO-7-THIOXO-6,8-DIAZASPIRO(3.4)OCTAN-6-YL)-3-(TRIFLUOROMETHYL)-2-PYRIDYL)-4,5-DIHYDROTHIAZOLE-4-CARBOXYLIC ACID

Details

Stereochemistry	RACEMIC
Molecular Formula	C23H16F4N4O5S2
Molecular Weight	568.521
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(5-(8-(4-CARBOXY-3-FLUORO-PHENYL)-5-OXO-7-THIOXO-6,8-DIAZASPIRO(3.4)OCTAN-6-YL)-3-(TRIFLUOROMETHYL)-2-PYRIDYL)-4,5-DIHYDROTHIAZOLE-4-CARBOXYLIC ACID

Structure Search

SMILES

OC(=O)C1CSC(=N1)C2=C(C=C(C=N2)N3C(=S)N(C4=CC=C(C(O)=O)C(F)=C4)C5(CCC5)C3=O)C(F)(F)F

InChI

InChIKey=CRXBUXLBBZHFCG-UHFFFAOYSA-N

InChI=1S/C23H16F4N4O5S2/c24-14-7-10(2-3-12(14)18(32)33)31-21(37)30(20(36)22(31)4-1-5-22)11-6-13(23(25,26)27)16(28-8-11)17-29-15(9-38-17)19(34)35/h2-3,6-8,15H,1,4-5,9H2,(H,32,33)(H,34,35)

HIDE SMILES / InChI

Molecular Formula	C23H16F4N4O5S2
Molecular Weight	568.521
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 `Wed Apr 02 08:04:43 GMT 2025` Edited by `admin` on `Wed Apr 02 08:04:43 GMT 2025`
Record UNII	FEU4P4HER6
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

APALUTAMIDE METABOLITE M17

Preferred Name

English

2-(5-(8-(4-CARBOXY-3-FLUORO-PHENYL)-5-OXO-7-THIOXO-6,8-DIAZASPIRO(3.4)OCTAN-6-YL)-3-(TRIFLUOROMETHYL)-2-PYRIDYL)-4,5-DIHYDROTHIAZOLE-4-CARBOXYLIC ACID

Systematic Name

English

Code System Code Type Description

FDA UNII

FEU4P4HER6

Created by admin on Wed Apr 02 08:04:43 GMT 2025 , Edited by admin on Wed Apr 02 08:04:43 GMT 2025

PRIMARY

PUBCHEM

165412048

Created by admin on Wed Apr 02 08:04:43 GMT 2025 , Edited by admin on Wed Apr 02 08:04:43 GMT 2025

PRIMARY

Related Record Type Details


					4T36H88UA7

Apalutamide

PARENT -> METABOLITE

Interaction Type:

TRACE

Qualification:

FECAL; URINE