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

Details

Stereochemistry RACEMIC
Molecular Formula C17H16O3
Molecular Weight 268.3071
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(3-(4-METHYLBENZOYL)PHENYL)PROPANOIC ACID

SMILES

CC(C(O)=O)C1=CC=CC(=C1)C(=O)C2=CC=C(C)C=C2

InChI

InChIKey=PXERNXYPPAUBJI-UHFFFAOYSA-N
InChI=1S/C17H16O3/c1-11-6-8-13(9-7-11)16(18)15-5-3-4-14(10-15)12(2)17(19)20/h3-10,12H,1-2H3,(H,19,20)

HIDE SMILES / InChI

Molecular Formula C17H16O3
Molecular Weight 268.3071
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 Sat Dec 16 09:59:47 UTC 2023
Edited
by admin
on Sat Dec 16 09:59:47 UTC 2023
Record UNII
V4267UCZ9S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(3-(4-METHYLBENZOYL)PHENYL)PROPANOIC ACID
Systematic Name English
BENZENEACETIC ACID, .ALPHA.-METHYL-3-(4-METHYLBENZOYL)-
Common Name English
KETOPROFEN RELATED COMPOUND A (AS)
Common Name English
KETOPROFEN RELATED COMPOUND A [USP IMPURITY]
Common Name English
(2RS)-2-(3-(4-METHYLBENZOYL)PHENYL)PROPANOIC ACID
Systematic Name English
KETOPROFEN RELATED COMPOUND A [USP-RS]
Common Name English
KETOPROFEN RELATED COMPOUND A
USP   USP-RS  
Common Name English
KETOPROFEN IMPURITY D [EP IMPURITY]
Common Name English
(±)-2-(3-(4-METHYLBENZOYL)PHENYL)PROPANOIC ACID
Systematic Name English
Code System Code Type Description
CAS
107257-20-5
Created by admin on Sat Dec 16 09:59:48 UTC 2023 , Edited by admin on Sat Dec 16 09:59:48 UTC 2023
PRIMARY
PUBCHEM
577332
Created by admin on Sat Dec 16 09:59:48 UTC 2023 , Edited by admin on Sat Dec 16 09:59:48 UTC 2023
PRIMARY
RS_ITEM_NUM
1356643
Created by admin on Sat Dec 16 09:59:48 UTC 2023 , Edited by admin on Sat Dec 16 09:59:48 UTC 2023
PRIMARY
FDA UNII
V4267UCZ9S
Created by admin on Sat Dec 16 09:59:48 UTC 2023 , Edited by admin on Sat Dec 16 09:59:48 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY