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Details

Stereochemistry RACEMIC
Molecular Formula C13H16O3
Molecular Weight 220.2643
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(4-ISOBUTYRYLPHENYL)PROPIONIC ACID

SMILES

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

InChI

InChIKey=RCINGEKPKJQCMO-UHFFFAOYSA-N
InChI=1S/C13H16O3/c1-8(2)12(14)11-6-4-10(5-7-11)9(3)13(15)16/h4-9H,1-3H3,(H,15,16)

HIDE SMILES / InChI

Molecular Formula C13H16O3
Molecular Weight 220.2643
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:22:07 GMT 2023
Edited
by admin
on Sat Dec 16 08:22:07 GMT 2023
Record UNII
0L2ZBN7PVB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(4-ISOBUTYRYLPHENYL)PROPIONIC ACID
Systematic Name English
IBUPROFEN IMPURITY J [EP IMPURITY]
Common Name English
(2RS)-2-(4-(2-METHYLPROPANOYL)PHENYL)PROPANOIC ACID
Systematic Name English
BENZENEACETIC ACID, .ALPHA.-METHYL-4-(2-METHYL-1-OXOPROPYL)-
Common Name English
(±)-2-(4-(2-METHYLPROPANOYL)PHENYL)PROPANOIC ACID
Systematic Name English
1-OXO IBUPROFEN
Common Name English
IBUPROFEN RELATED COMPOUND J
USP-RS  
Common Name English
IBUPROFEN RELATED COMPOUND J [USP-RS]
Common Name English
Code System Code Type Description
FDA UNII
0L2ZBN7PVB
Created by admin on Sat Dec 16 08:22:08 GMT 2023 , Edited by admin on Sat Dec 16 08:22:08 GMT 2023
PRIMARY
PUBCHEM
11499530
Created by admin on Sat Dec 16 08:22:08 GMT 2023 , Edited by admin on Sat Dec 16 08:22:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID101289858
Created by admin on Sat Dec 16 08:22:08 GMT 2023 , Edited by admin on Sat Dec 16 08:22:08 GMT 2023
PRIMARY
RS_ITEM_NUM
1335596
Created by admin on Sat Dec 16 08:22:08 GMT 2023 , Edited by admin on Sat Dec 16 08:22:08 GMT 2023
PRIMARY
CAS
65813-55-0
Created by admin on Sat Dec 16 08:22:08 GMT 2023 , Edited by admin on Sat Dec 16 08:22:08 GMT 2023
PRIMARY
Related Record Type Details
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