U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C24H19F4N5O4S2
Molecular Weight 581.562
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-THIAZOLECARBOXYLIC ACID, 2-(5-(5-(3-FLUORO-4-((METHYLAMINO)CARBONYL)PHENYL)-8-OXO-6-THIOXO-5,7-DIAZASPIRO(3.4)OCT-7-YL)-3-(TRIFLUOROMETHYL)-2-PYRIDINYL)-4,5-DIHYDRO-

SMILES

CNC(=O)C1=CC=C(C=C1F)N2C(=S)N(C(=O)C23CCC3)C4=CC(=C(N=C4)C5=NC(CS5)C(O)=O)C(F)(F)F

InChI

InChIKey=JBORWYHHOOUNRM-UHFFFAOYSA-N
InChI=1S/C24H19F4N5O4S2/c1-29-18(34)13-4-3-11(8-15(13)25)33-22(38)32(21(37)23(33)5-2-6-23)12-7-14(24(26,27)28)17(30-9-12)19-31-16(10-39-19)20(35)36/h3-4,7-9,16H,2,5-6,10H2,1H3,(H,29,34)(H,35,36)

HIDE SMILES / InChI

Molecular Formula C24H19F4N5O4S2
Molecular Weight 581.562
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 Sat Dec 16 16:53:51 GMT 2023
Edited
by admin
on Sat Dec 16 16:53:51 GMT 2023
Record UNII
WP3N26Z5H4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-THIAZOLECARBOXYLIC ACID, 2-(5-(5-(3-FLUORO-4-((METHYLAMINO)CARBONYL)PHENYL)-8-OXO-6-THIOXO-5,7-DIAZASPIRO(3.4)OCT-7-YL)-3-(TRIFLUOROMETHYL)-2-PYRIDINYL)-4,5-DIHYDRO-
Systematic Name English
APALUTAMIDE METABOLITE M9
Common Name English
Code System Code Type Description
FDA UNII
WP3N26Z5H4
Created by admin on Sat Dec 16 16:53:51 GMT 2023 , Edited by admin on Sat Dec 16 16:53:51 GMT 2023
PRIMARY
PUBCHEM
156596400
Created by admin on Sat Dec 16 16:53:51 GMT 2023 , Edited by admin on Sat Dec 16 16:53:51 GMT 2023
PRIMARY
CAS
2408596-35-8
Created by admin on Sat Dec 16 16:53:51 GMT 2023 , Edited by admin on Sat Dec 16 16:53:51 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
after oral administration of 240 mg of apalutamide in 0-1680 hours
FECAL
PARENT -> METABOLITE
after oral administration of 240 mg of apalutamide in 0-1680 hours
URINE