Mrv0541 11051314172D          

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 27 28  1  0  0  0  0
M  END
> <ID>
CHEBI:76201

> <NAME>
clonixin lysine salt

> <DEFINITION>
An organoammonium salt obtained by combining clonixin with one molar equivalent of L-lysine. Used for treatment of renal colic, muscular pain and moderately severe migraine attacks.

> <STAR>
3

> <SYNONYM>
Lysine clonixinate; L-Lysine, mono(2-((3-chloro-2-methylphenyl)amino)-3-pyridinecarboxylate); L-lysine clonixinate; L-clonixin lysine salt; L 104; 2-(2'-Methyl-3'-chloroanilino)lysine nicotinate

> <IUPAC_NAME>
2-[(3-chloro-2-methylphenyl)amino]nicotinic acid--L-lysine (1/1); (2S)-2,6-diazaniumylhexanoate 2-[(3-chloro-2-methylphenyl)amino]nicotinate

> <FORMULA>
C19H25ClN4O4

> <MASS>
408.87900

> <MONOISOTOPIC_MASS>
408.15643

> <CHARGE>
0

> <SMILES>
NCCCC[C@H](N)C(O)=O.Cc1c(Cl)cccc1Nc1ncccc1C(O)=O

> <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

> <INCHIKEY>
CVNFYQCHAWFYQI-ZSCHJXSPSA-N

> <CAS_REGISTRY_NUMBER>
55837-30-4

> <REAXYS_REGISTRY_NUMBER>
7242905

> <CHEMIDPLUS>
55837-30-4

> <KEGG_DRUG_ACCESSION>
D07728

> <LINCS_ACCESSION>
LSM-6703

> <WIKIPEDIA_ACCESSION>
Clonixin

> <PUBMED_CITATION>
10077738; 10189073; 10451565; 10667284; 11299430; 11474878; 11708572; 11765590; 11814716; 19415056; 20420792; 23443017; 24042066; 7603299; 7779148; 8077090; 8786556; 8866627; 8880290; 9190874; 9222387; 9580220; 9638504; 9713099

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