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

Details

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

SHOW SMILES / InChI
Structure of IBUPROFEN LYSINE, (-)-

SMILES

NCCCC[C@H](N)C(O)=O.CC(C)CC1=CC=C(C=C1)[C@@H](C)C(O)=O

InChI

InChIKey=IHHXIUAEPKVVII-APFIOPMWSA-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)/t10-;5-/m10/s1

HIDE SMILES / InChI

Molecular Formula C6H14N2O2
Molecular Weight 146.1876
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C13H18O2
Molecular Weight 206.2808
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 02:14:28 GMT 2023
Edited
by admin
on Sat Dec 16 02:14:28 GMT 2023
Record UNII
5TQJ0240XA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IBUPROFEN LYSINE, (-)-
Common Name English
L-LYSINE, MONO((R)-.ALPHA.-METHYL-4-(2-METHYLPROPYL)BENZENEACETATE)
Systematic Name English
R-(-)-IBUPROFEN L-LYSINE SALT
Common Name English
IBUPROFEN L-LYSINE, (-)-
Common Name English
BENZENEACETIC ACID, .ALPHA.-METHYL-4-(2-METHYLPROPYL)-, (R)-, COMPD. WITH L-LYSINE (1:1)
Systematic Name English
L-LYSINE, MONO((.ALPHA.R)-.ALPHA.-METHYL-4-(2-METHYLPROPYL)BENZENEACETATE)
Systematic Name English
Code System Code Type Description
CAS
157369-85-2
Created by admin on Sat Dec 16 02:14:28 GMT 2023 , Edited by admin on Sat Dec 16 02:14:28 GMT 2023
PRIMARY
FDA UNII
5TQJ0240XA
Created by admin on Sat Dec 16 02:14:28 GMT 2023 , Edited by admin on Sat Dec 16 02:14:28 GMT 2023
PRIMARY
PUBCHEM
15009332
Created by admin on Sat Dec 16 02:14:28 GMT 2023 , Edited by admin on Sat Dec 16 02:14:28 GMT 2023
PRIMARY
EPA CompTox
DTXSID50566909
Created by admin on Sat Dec 16 02:14:28 GMT 2023 , Edited by admin on Sat Dec 16 02:14:28 GMT 2023
PRIMARY