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Details

Stereochemistry RACEMIC
Molecular Formula C15H18O5
Molecular Weight 278.3004
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(1-Carboxyethyl)-?-oxobenzenehexanoic acid

SMILES

CC(C(O)=O)C1=CC=C(CC(=O)CCCC(O)=O)C=C1

InChI

InChIKey=ALZUIVGLLMTAMW-UHFFFAOYSA-N
InChI=1S/C15H18O5/c1-10(15(19)20)12-7-5-11(6-8-12)9-13(16)3-2-4-14(17)18/h5-8,10H,2-4,9H2,1H3,(H,17,18)(H,19,20)

HIDE SMILES / InChI

Molecular Formula C15H18O5
Molecular Weight 278.3004
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 17:09:48 GMT 2025
Edited
by admin
on Wed Apr 02 17:09:48 GMT 2025
Record UNII
L47Q55HU29
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Loxoprofen Ring-opening Impurity
Preferred Name English
4-(1-Carboxyethyl)-?-oxobenzenehexanoic acid
Systematic Name English
6-(4-(1-carboxyethyl)phenyl)-5-oxohexanoic acid
Systematic Name English
Benzenehexanoic acid, 4-(1-carboxyethyl)-?-oxo-
Systematic Name English
Code System Code Type Description
PUBCHEM
141496926
Created by admin on Wed Apr 02 17:09:48 GMT 2025 , Edited by admin on Wed Apr 02 17:09:48 GMT 2025
PRIMARY
CAS
1091621-61-2
Created by admin on Wed Apr 02 17:09:48 GMT 2025 , Edited by admin on Wed Apr 02 17:09:48 GMT 2025
PRIMARY
FDA UNII
L47Q55HU29
Created by admin on Wed Apr 02 17:09:48 GMT 2025 , Edited by admin on Wed Apr 02 17:09:48 GMT 2025
PRIMARY