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Details

Stereochemistry EPIMERIC
Molecular Formula C13H16O4
Molecular Weight 236.2637
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(4-((1S)-2-HYDROXY-1-METHYL-2-OXO-ETHYL)PHENYL)-2-METHYL-PROPANOIC ACID

SMILES

CC(CC1=CC=C(C=C1)[C@H](C)C(O)=O)C(O)=O

InChI

InChIKey=DIVLBIVDYADZPL-GKAPJAKFSA-N
InChI=1S/C13H16O4/c1-8(12(14)15)7-10-3-5-11(6-4-10)9(2)13(16)17/h3-6,8-9H,7H2,1-2H3,(H,14,15)(H,16,17)/t8?,9-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
BENZENEPROPANOIC ACID, 4-(1-CARBOXYETHYL)-.ALPHA.-METHYL-, (.ALPHA.S)-
Preferred Name English
3-(4-((1S)-2-HYDROXY-1-METHYL-2-OXO-ETHYL)PHENYL)-2-METHYL-PROPANOIC ACID
Common Name English
Code System Code Type Description
FDA UNII
J78Y8XE2HY
Created by admin on Tue Apr 01 21:54:30 GMT 2025 , Edited by admin on Tue Apr 01 21:54:30 GMT 2025
PRIMARY
CAS
189287-82-9
Created by admin on Tue Apr 01 21:54:30 GMT 2025 , Edited by admin on Tue Apr 01 21:54:30 GMT 2025
PRIMARY
PUBCHEM
100999936
Created by admin on Tue Apr 01 21:54:30 GMT 2025 , Edited by admin on Tue Apr 01 21:54:30 GMT 2025
PRIMARY
PARENT (METABOLITE INACTIVE)
Structure of DEXIBUPROFEN
NIH
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