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

Details

Stereochemistry RACEMIC
Molecular Formula C21H24FNO3
Molecular Weight 357.4186
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AHR-1900

SMILES

COC1=CC=CC=C1OC2CCN(CCCC(=O)C3=CC=C(F)C=C3)C2

InChI

InChIKey=DBSZFOMWGPKWPJ-UHFFFAOYSA-N
InChI=1S/C21H24FNO3/c1-25-20-6-2-3-7-21(20)26-18-12-14-23(15-18)13-4-5-19(24)16-8-10-17(22)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3

HIDE SMILES / InChI

Molecular Formula C21H24FNO3
Molecular Weight 357.4186
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 Wed Apr 02 03:49:59 GMT 2025
Edited
by admin
on Wed Apr 02 03:49:59 GMT 2025
Record UNII
QT6X2WB634
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(4-FLUOROPHENYL)-4-(3-(2-METHOXYPHENOXY)-1-PYRROLIDINYL)-1-BUTANONE
Preferred Name English
AHR-1900
Code English
1-BUTANONE, 1-(4-FLUOROPHENYL)-4-(3-(2-METHOXYPHENOXY)-1-PYRROLIDINYL)-
Systematic Name English
Code System Code Type Description
CAS
21492-67-1
Created by admin on Wed Apr 02 03:49:59 GMT 2025 , Edited by admin on Wed Apr 02 03:49:59 GMT 2025
PRIMARY
FDA UNII
QT6X2WB634
Created by admin on Wed Apr 02 03:49:59 GMT 2025 , Edited by admin on Wed Apr 02 03:49:59 GMT 2025
PRIMARY
PUBCHEM
30666
Created by admin on Wed Apr 02 03:49:59 GMT 2025 , Edited by admin on Wed Apr 02 03:49:59 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT