Ibuprofen lysine

C19H32N2O4CAS 57469-77-9352.48 g/mol

Open in Covalent MOL file
OOHH2NNH2OOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C19H32N2O4
Molar mass
352.48 g/mol
Exact mass
352.2362 Da
logP
2.60Crippen estimate
Polar surface area
126.6 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
9
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
57469-77-9
SMILES
CC(C)Cc1ccc(C(C)C(=O)O)cc1.NCCCC[C@H](N)C(=O)O
InChIKey
IHHXIUAEPKVVII-ZSCHJXSPSA-N
InChI
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)/t;5-/m.0/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

14 names · show all
  • L-Lysine, α-methyl-4-(2-methylpropyl)benzeneacetate (1:1)
  • L-Lysine, mono[α-methyl-4-(2-methylpropyl)benzeneacetate]
  • Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-, compd. with L-lysine (1:1)
  • Lysine 2-(p-isobutylphenyl)propionate
  • Solufenum
  • Saren
  • Soluphene
  • Ibuprofen lysinate
  • Lisiprofen
  • Imbun
  • Imbun 500
  • Ibuprofen lysine salt
  • Arfen
  • Dolormin

Work with Ibuprofen lysine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Lysine monohydrate39665-12-8Hydrate Ibuprofen15687-27-1Free acid Ibuprofen58560-75-1Free acid (+)-Ibuprofen51146-56-6Free acid, defined stereoisomer (-)-Ibuprofen51146-57-7Free acid, defined stereoisomer Lysine70-54-2Free base, stereo not defined Polylysine25104-18-1Free base L-Lysine56-87-1Free base D-Lysine923-27-3Free base, enantiomer Aspisol62952-06-1Salt, stereo not defined L-Lysine monohydrochloride657-27-2Salt Lysine clonixinate55837-30-4Salt

Similar compounds

Loxoprofen68767-14-651 % similar Glatiramer acetate147245-92-950 % similar Ornithine70-26-850 % similar 2-(4-Bromomethyl)phenylpropionic acid111128-12-247 % similar DL-ornithine hydrochloride1069-31-447 % similar (R)-Ornithine hydrochloride16682-12-547 % similar Ornithine hydrochloride3184-13-247 % similar Ornithine dihydrochloride6211-16-147 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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