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Details

Stereochemistry ACHIRAL
Molecular Formula C21H15F4N5O3
Molecular Weight 461.3691
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]-6,8-dioxo-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide

SMILES

CNC(=O)C1=C(F)C=C(C=C1)N2C(=O)N(C(=O)C23CCC3)C4=CN=C(C#N)C(=C4)C(F)(F)F

InChI

InChIKey=RSVADJWVUQPMRK-UHFFFAOYSA-N
InChI=1S/C21H15F4N5O3/c1-27-17(31)13-4-3-11(8-15(13)22)30-19(33)29(18(32)20(30)5-2-6-20)12-7-14(21(23,24)25)16(9-26)28-10-12/h3-4,7-8,10H,2,5-6H2,1H3,(H,27,31)

HIDE SMILES / InChI

Molecular Formula C21H15F4N5O3
Molecular Weight 461.3691
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 07:33:55 GMT 2025
Edited
by admin
on Wed Apr 02 07:33:55 GMT 2025
Record UNII
M42AQ7Z6LP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-[7-[6-Cyano-5-(trifluoromethyl)pyridin-3-yl]-6,8-dioxo-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide
Systematic Name English
APALUTAMIDE METABOLITE M2
Preferred Name English
ARN-273
Common Name English
Benzamide, 4-[7-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-6,8-dioxo-5,7-diazaspiro[3.4]oct-5-yl]-2-fluoro-N-methyl-
Systematic Name English
JNJ-56142099
Common Name English
Code System Code Type Description
FDA UNII
M42AQ7Z6LP
Created by admin on Wed Apr 02 07:33:55 GMT 2025 , Edited by admin on Wed Apr 02 07:33:55 GMT 2025
PRIMARY
PUBCHEM
67373212
Created by admin on Wed Apr 02 07:33:55 GMT 2025 , Edited by admin on Wed Apr 02 07:33:55 GMT 2025
PRIMARY
CAS
1332391-92-0
Created by admin on Wed Apr 02 07:33:55 GMT 2025 , Edited by admin on Wed Apr 02 07:33:55 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
After oral administration of 240 mg of apalutamide in 0-1680 hours
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