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

Approval Year

Unknown
139594
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 GMT 2023 , Edited by admin on Sat Dec 16 16:53:51 GMT 2023
PRIMARY
PUBCHEM
90285493
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
FDA UNII
N2ZY54BZZ4
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
PARENT (METABOLITE)
Structure of APALUTAMIDE
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966