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Details

Stereochemistry MIXED
Molecular Formula C13H16O4
Molecular Weight 236.2642
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CARBOXYIBUPROFEN

SMILES

CC(Cc1ccc(cc1)C(C)C(=O)O)C(=O)O

InChI

InChIKey=DIVLBIVDYADZPL-UHFFFAOYSA-N
InChI=1S/C13H16O4/c1-8(12(14)15)7-10-3-5-11(6-4-10)9(2)13(16)17/h3-6,8-9H,7H2,1-2H3,(H,14,15)(H,16,17)

HIDE SMILES / InChI

Molecular Formula C13H16O4
Molecular Weight 236.2642
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Isomeric inversion of ibuprofen (R)-enantiomer in humans.
1976 Feb
Substance Class Chemical
Created
by admin
on Sat Jun 26 14:16:21 UTC 2021
Edited
by admin
on Sat Jun 26 14:16:21 UTC 2021
Record UNII
2RI5XR466K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CARBOXYIBUPROFEN
Common Name English
BENZENEACETIC ACID, 4-(2-CARBOXYPROPYL)-.ALPHA.-METHYL-
Common Name English
BENZENEPROPANOIC ACID, 4-(1-CARBOXYETHYL)-.ALPHA.-METHYL-
Common Name English
2,4'-(2-CARBOXYPROPYL)PHENYLPROPIONIC ACID
Common Name English
IBUPROFEN COOH
Common Name English
2-(4-(2-CARBOXYPROPYL)PHENYL)PROPIONIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
10444113
Created by admin on Sat Jun 26 14:16:21 UTC 2021 , Edited by admin on Sat Jun 26 14:16:21 UTC 2021
PRIMARY
FDA UNII
2RI5XR466K
Created by admin on Sat Jun 26 14:16:21 UTC 2021 , Edited by admin on Sat Jun 26 14:16:21 UTC 2021
PRIMARY
CAS
15935-54-3
Created by admin on Sat Jun 26 14:16:21 UTC 2021 , Edited by admin on Sat Jun 26 14:16:21 UTC 2021
PRIMARY
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