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

Details

Stereochemistry ABSOLUTE
Molecular Formula C13H18O3
Molecular Weight 222.2802
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-HYDROXYDEXIBUPROFEN

SMILES

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

InChI

InChIKey=UJHKVYPPCJBOSG-VIFPVBQESA-N
InChI=1S/C13H18O3/c1-9(12(14)15)11-6-4-10(5-7-11)8-13(2,3)16/h4-7,9,16H,8H2,1-3H3,(H,14,15)/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H18O3
Molecular Weight 222.2802
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:31:15 GMT 2023
Edited
by admin
on Sat Dec 16 13:31:15 GMT 2023
Record UNII
RY95O53234
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-HYDROXYDEXIBUPROFEN
Common Name English
(2S)-2-(4-(2-HYDROXY-2-METHYL-PROPYL)PHENYL)PROPANOIC ACID
Common Name English
BENZENEACETIC ACID, 4-(2-HYDROXY-2-METHYLPROPYL)-.ALPHA.-METHYL-, (.ALPHA.S)-
Systematic Name English
(.ALPHA.S)-4-(2-HYDROXY-2-METHYLPROPYL)-.ALPHA.-METHYLBENZENEACETIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
12617415
Created by admin on Sat Dec 16 13:31:15 GMT 2023 , Edited by admin on Sat Dec 16 13:31:15 GMT 2023
PRIMARY
CAS
58534-39-7
Created by admin on Sat Dec 16 13:31:15 GMT 2023 , Edited by admin on Sat Dec 16 13:31:15 GMT 2023
PRIMARY
FDA UNII
RY95O53234
Created by admin on Sat Dec 16 13:31:15 GMT 2023 , Edited by admin on Sat Dec 16 13:31:15 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
Metabolism by CYP2C9 (90%) and CYP2C19 (10%).