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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H15FN2O3
Molecular Weight 266.2682
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-((3-FLUORO-4-((METHYLAMINO)CARBONYL)PHENYL)AMINO)CYCLOBUTANECARBOXYLIC ACID

SMILES

CNC(=O)C1=CC=C(NC2(CCC2)C(O)=O)C=C1F

InChI

InChIKey=FGOGELABKVPEAL-UHFFFAOYSA-N
InChI=1S/C13H15FN2O3/c1-15-11(17)9-4-3-8(7-10(9)14)16-13(12(18)19)5-2-6-13/h3-4,7,16H,2,5-6H2,1H3,(H,15,17)(H,18,19)

HIDE SMILES / InChI

Molecular Formula C13H15FN2O3
Molecular Weight 266.2682
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 Sat Dec 16 16:53:51 UTC 2023
Edited
by admin
on Sat Dec 16 16:53:51 UTC 2023
Record UNII
N2ZY54BZZ4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-((3-FLUORO-4-((METHYLAMINO)CARBONYL)PHENYL)AMINO)CYCLOBUTANECARBOXYLIC ACID
Systematic Name English
CYCLOBUTANECARBOXYLIC ACID, 1-((3-FLUORO-4-((METHYLAMINO)CARBONYL)PHENYL)AMINO)-
Systematic Name English
APALUTAMIDE METABOLITE M19
Common Name English
1-((3-FLUORO-4-(METHYLCARBAMOYL)PHENYL)AMINO)CYCLOBUTANE-1-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
CAS
2227589-22-0
Created by admin on Sat Dec 16 16:53:51 UTC 2023 , Edited by admin on Sat Dec 16 16:53:51 UTC 2023
PRIMARY
PUBCHEM
90285493
Created by admin on Sat Dec 16 16:53:51 UTC 2023 , Edited by admin on Sat Dec 16 16:53:51 UTC 2023
PRIMARY
FDA UNII
N2ZY54BZZ4
Created by admin on Sat Dec 16 16:53:51 UTC 2023 , Edited by admin on Sat Dec 16 16:53:51 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
after oral administration of 240 mg of apalutamide in 0-1680 hours
URINE
PARENT -> METABOLITE
after oral administration of 240 mg of apalutamide in 0-1680 hours
FECAL