Lysine clonixinate

C19H25ClN4O4CAS 55837-30-4408.88 g/mol

Open in Covalent MOL file
ClHNNOOHH2NNH2OOH
Aryl halideCarboxylic acidPrimary amineSecondary amine

Properties

Molecular formula
C19H25ClN4O4
Molar mass
408.88 g/mol
Exact mass
408.1564 Da
logP
3.01Crippen estimate
Polar surface area
151.6 Ų
H-bond donors / acceptors
5 / 6
Rotatable bonds
8
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
55837-30-4
SMILES
Cc1c(Cl)cccc1Nc1ncccc1C(=O)O.NCCCC[C@H](N)C(=O)O
InChIKey
CVNFYQCHAWFYQI-ZSCHJXSPSA-N
InChI
InChI=1S/C13H11ClN2O2.C6H14N2O2/c1-8-10(14)5-2-6-11(8)16-12-9(13(17)18)4-3-7-15-12;7-4-2-1-3-5(8)6(9)10/h2-7H,1H3,(H,15,16)(H,17,18);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

11 names
  • L-Lysine, 2-[(3-chloro-2-methylphenyl)amino]-3-pyridinecarboxylate (1:1)
  • L-Lysine, mono[2-[(3-chloro-2-methylphenyl)amino]-3-pyridinecarboxylate]
  • 3-Pyridinecarboxylic acid, 2-[(3-chloro-2-methylphenyl)amino]-, compd. with L-lysine (1:1)
  • L 104
  • Dorixina
  • Clonix
  • Clonixin lysine salt
  • Dolagial
  • Deltar
  • L 104 (Pharmaceutical)
  • Clonixin lysinate

Work with Lysine clonixinate

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 Clonixin17737-65-4Parent compound Lysine70-54-2Parent compound, stereo not defined Polylysine25104-18-1Parent compound L-Lysine56-87-1Parent compound D-Lysine923-27-3Parent compound, enantiomer Aspisol62952-06-1Salt, stereo not defined L-Lysine monohydrochloride657-27-2Salt Ibuprofen lysine57469-77-9Salt Lysine glutamate5408-52-6Salt Lysine hydrochloride10098-89-2Salt Bendazac L-lysine salt81919-14-4Salt

Similar compounds

Flunixin38677-85-949 % similar Tolfenamic acid13710-19-548 % similar Flunixin meglumine42461-84-744 % similar 3-Chloro-2-methylbenzoic acid7499-08-340 % similar Niflumic acid4394-00-737 % similar Ornithine70-26-837 % similar H-Orn(2-cl-Z)-oh118553-99-437 % similar Aspirin arginine salt37466-21-036 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook