chempirical

Ketoprofen lysinate

C22H28N2O5CAS 57469-78-0400.48 g/mol

Open in Covalent MOL file
OOHOH2NOOHNH2
Carboxylic acidKetonePrimary amine

Properties

Molecular formula
C22H28N2O5
Molar mass
400.48 g/mol
Exact mass
400.1998 Da
logP
2.63Crippen estimate
Polar surface area
143.7 Ų
H-bond donors / acceptors
4 / 5
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. Search the SDS library

Identifiers

CAS number
57469-78-0
SMILES
CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O.C(CCN)C[C@@H](C(=O)O)N
InChIKey
VHIORVCHBUEWEP-ZSCHJXSPSA-N
InChI
InChI=1S/C16H14O3.C6H14N2O2/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12;7-4-2-1-3-5(8)6(9)10/h2-11H,1H3,(H,18,19);5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1

Weigh it out

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

Names and synonyms

1 names
  • Ketoprofen lysine

Work with Ketoprofen lysinate

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 Ketoprofen22071-15-4Free acid (+)-Ketoprofen22161-81-5Free 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 Ibuprofen lysine57469-77-9Salt L-Lysine monohydrochloride657-27-2Salt Lysine clonixinate55837-30-4Salt S-(+)-Ketoprofen trometamol156604-79-4Salt, defined stereoisomer

Similar compounds

L-4-Benzoylphenylalanine104504-45-247 % similar 2-Phenylpropionic acid492-37-545 % similar Ornithine70-26-845 % similar (+)-2-Phenylpropionic acid7782-24-345 % similar (-)-2-Phenylpropionic acid7782-26-545 % similar Fenoprofen31879-05-745 % similar DL-ornithine hydrochloride1069-31-443 % similar (R)-Ornithine hydrochloride16682-12-543 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook