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Details

Stereochemistry MIXED
Molecular Formula C13H18O3
Molecular Weight 222.2802
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-HYDROXYIBUPROFEN

SMILES

CC(CO)CC1=CC=C(C=C1)C(C)C(O)=O

InChI

InChIKey=HFAIHLSDLUYLQA-UHFFFAOYSA-N
InChI=1S/C13H18O3/c1-9(8-14)7-11-3-5-12(6-4-11)10(2)13(15)16/h3-6,9-10,14H,7-8H2,1-2H3,(H,15,16)

HIDE SMILES / InChI

Molecular Formula C13H18O3
Molecular Weight 222.2802
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 04:40:56 UTC 2023
Edited
by admin
on Sat Dec 16 04:40:56 UTC 2023
Record UNII
C41B66XGBS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-HYDROXYIBUPROFEN
Common Name English
2,4'-(2-HYDROXYMETHYLPROPYL)PHENYLPROPIONIC ACID
Common Name English
3-HYDROXY-IBUPROFEN
Common Name English
BENZENEACETIC ACID, 4-(3-HYDROXY-2-METHYLPROPYL)-.ALPHA.-METHYL-
Common Name English
Code System Code Type Description
FDA UNII
C41B66XGBS
Created by admin on Sat Dec 16 04:40:56 UTC 2023 , Edited by admin on Sat Dec 16 04:40:56 UTC 2023
PRIMARY
PUBCHEM
71312545
Created by admin on Sat Dec 16 04:40:56 UTC 2023 , Edited by admin on Sat Dec 16 04:40:56 UTC 2023
PRIMARY
CAS
53949-54-5
Created by admin on Sat Dec 16 04:40:56 UTC 2023 , Edited by admin on Sat Dec 16 04:40:56 UTC 2023
PRIMARY
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