4-(6-(6-CARBAMOYL-5-(TRIFLUOROMETHYL)-3-PYRIDYL)-5-OXO-7-THIOXO-6,8-DIAZASPIRO(3.4)OCTAN-8-YL)-2-FLUORO-BENZOIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H14F4N4O4S
Molecular Weight	482.408
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-(6-(6-CARBAMOYL-5-(TRIFLUOROMETHYL)-3-PYRIDYL)-5-OXO-7-THIOXO-6,8-DIAZASPIRO(3.4)OCTAN-8-YL)-2-FLUORO-BENZOIC ACID

Structure Search

SMILES

NC(=O)C1=C(C=C(C=N1)N2C(=S)N(C3=CC=C(C(O)=O)C(F)=C3)C4(CCC4)C2=O)C(F)(F)F

InChI

InChIKey=FJGXGSVETWUMKO-UHFFFAOYSA-N

InChI=1S/C20H14F4N4O4S/c21-13-7-9(2-3-11(13)16(30)31)28-18(33)27(17(32)19(28)4-1-5-19)10-6-12(20(22,23)24)14(15(25)29)26-8-10/h2-3,6-8H,1,4-5H2,(H2,25,29)(H,30,31)

HIDE SMILES / InChI

Molecular Formula	C20H14F4N4O4S
Molecular Weight	482.408
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 `Wed Apr 02 07:12:19 GMT 2025` Edited by `admin` on `Wed Apr 02 07:12:19 GMT 2025`
Record UNII	HSE66JB9XZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

APALUTAMIDE METABOLITE M18

Preferred Name

English

4-(6-(6-CARBAMOYL-5-(TRIFLUOROMETHYL)-3-PYRIDYL)-5-OXO-7-THIOXO-6,8-DIAZASPIRO(3.4)OCTAN-8-YL)-2-FLUORO-BENZOIC ACID

Systematic Name

English

Code System Code Type Description

PUBCHEM

156613864

Created by admin on Wed Apr 02 07:12:19 GMT 2025 , Edited by admin on Wed Apr 02 07:12:19 GMT 2025

PRIMARY

FDA UNII

HSE66JB9XZ

Created by admin on Wed Apr 02 07:12:19 GMT 2025 , Edited by admin on Wed Apr 02 07:12:19 GMT 2025

PRIMARY

Related Record Type Details


					4T36H88UA7

Apalutamide

PARENT -> METABOLITE

Comments:

after oral administration of 240 mg of apalutamide in 0-1680 hours

Qualification:

FECAL

Amount:


					4T36H88UA7