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Details

Stereochemistry MIXED
Molecular Formula C13H18O2.C6H14N2O2
Molecular Weight 352.4684
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IBUPROFEN DL-LYSINE

SMILES

NCCCCC(N)C(O)=O.CC(C)CC1=CC=C(C=C1)C(C)C(O)=O

InChI

InChIKey=IHHXIUAEPKVVII-UHFFFAOYSA-N
InChI=1S/C13H18O2.C6H14N2O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;7-4-2-1-3-5(8)6(9)10/h4-7,9-10H,8H2,1-3H3,(H,14,15);5H,1-4,7-8H2,(H,9,10)

HIDE SMILES / InChI

Molecular Formula C13H18O2
Molecular Weight 206.2808
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula C6H14N2O2
Molecular Weight 146.1876
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 14:47:55 UTC 2023
Edited
by admin
on Sat Dec 16 14:47:55 UTC 2023
Record UNII
079X7DL13M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IBUPROFEN DL-LYSINE
Common Name English
(RS)-2-(4-(2-METHYLPROPYL)PHENYL)PROPANOIC ACID D,L-LYSINE SALT
Systematic Name English
BENZENEACETIC ACID, .ALPHA.-METHYL-4-(2-METHYLPROPYL)-, COMPD. WITH LYSINE (1:1)
Systematic Name English
LYSINE, MONO(.ALPHA.-METHYL-4-(2-METHYLPROPYL)BENZENEACETATE)
Systematic Name English
DL-LYSINE, MONO(.ALPHA.-METHYL-4-(2-METHYLPROPYL)BENZENEACETATE)
Systematic Name English
LYSINE, .ALPHA.-METHYL-4-(2-METHYLPROPYL)BENZENEACETATE (1:1)
Systematic Name English
IBUPROFEN D,L-LYSINATE
Common Name English
Code System Code Type Description
FDA UNII
079X7DL13M
Created by admin on Sat Dec 16 14:47:55 UTC 2023 , Edited by admin on Sat Dec 16 14:47:55 UTC 2023
PRIMARY
PUBCHEM
9863332
Created by admin on Sat Dec 16 14:47:55 UTC 2023 , Edited by admin on Sat Dec 16 14:47:55 UTC 2023
PRIMARY
SMS_ID
100000133453
Created by admin on Sat Dec 16 14:47:55 UTC 2023 , Edited by admin on Sat Dec 16 14:47:55 UTC 2023
PRIMARY
EPA CompTox
DTXSID50432054
Created by admin on Sat Dec 16 14:47:55 UTC 2023 , Edited by admin on Sat Dec 16 14:47:55 UTC 2023
PRIMARY
CAS
57469-76-8
Created by admin on Sat Dec 16 14:47:55 UTC 2023 , Edited by admin on Sat Dec 16 14:47:55 UTC 2023
PRIMARY
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ACTIVE MOIETY