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

Details

Stereochemistry RACEMIC
Molecular Formula C19H20O3
Molecular Weight 296.361
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(3-(2,4,5-TRIMETHYLBENZOYL)PHENYL)PROPANOIC ACID, (+/-)-

SMILES

Cc1cc(C)c(cc1C)C(=O)c2cccc(c2)C(C)C(=O)O

InChI

InChIKey=QISHTWCSIVFJBU-UHFFFAOYSA-N
InChI=1S/C19H20O3/c1-11-8-13(3)17(9-12(11)2)18(20)16-7-5-6-15(10-16)14(4)19(21)22/h5-10,14H,1-4H3,(H,21,22)

HIDE SMILES / InChI

Molecular Formula C19H20O3
Molecular Weight 296.361
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 Jun 26 04:59:47 UTC 2021
Edited
by admin
on Sat Jun 26 04:59:47 UTC 2021
Record UNII
2TIQ8I948E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(3-(2,4,5-TRIMETHYLBENZOYL)PHENYL)PROPANOIC ACID, (+/-)-
Common Name English
2-(3-(2,4,5-TRIMETHYLBENZOYL)PHENYL)PROPANOIC ACID, (2RS)-
Common Name English
(+/-)-2-(3-(2,4,5-TRIMETHYLBENZOYL)PHENYL)PROPANOIC ACID
Systematic Name English
KETOPROFEN IMPURITY L [EP]
Common Name English
(2RS)-2-(3-(2,4,5-TRIMETHYLBENZOYL)PHENYL)PROPANOIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
2TIQ8I948E
Created by admin on Sat Jun 26 04:59:48 UTC 2021 , Edited by admin on Sat Jun 26 04:59:48 UTC 2021
PRIMARY
PUBCHEM
131668313
Created by admin on Sat Jun 26 04:59:48 UTC 2021 , Edited by admin on Sat Jun 26 04:59:48 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
UNSPECIFIED
EP