Clonixin Lysine

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Also known as: Clonixin lysine salt, 55837-30-4, L-lysine clonixinate, Clonixin lysine, L 104, L-104

Molecular Formula

C₁₉H₂₅ClN₄O₄

Molecular Weight

408.9 g/mol

InChI Key

CVNFYQCHAWFYQI-ZSCHJXSPSA-N

FDA UNII

06PW4M190R

1 2D Structure

Clonixin Lysine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid;(2S)-2,6-diaminohexanoic acid

2.1.2 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

2.1.3 InChI Key

CVNFYQCHAWFYQI-ZSCHJXSPSA-N

2.1.4 Canonical SMILES

CC1=C(C=CC=C1Cl)NC2=C(C=CC=N2)C(=O)O.C(CCN)CC(C(=O)O)N

2.1.5 Isomeric SMILES

CC1=C(C=CC=C1Cl)NC2=C(C=CC=N2)C(=O)O.C(CCN)C[C@@H](C(=O)O)N

2.2 Other Identifiers

2.2.1 UNII

06PW4M190R

2.3 Synonyms

2.3.1 MeSH Synonyms

1. L 104

2. L-104

2.3.2 Depositor-Supplied Synonyms

1. Clonixin Lysine Salt

2. 55837-30-4

3. L-lysine Clonixinate

4. Clonixin Lysine

5. L 104

6. L-104

7. 2-(2'-methyl-3'-chloroanilino)lysine Nicotinate

8. L-lysine, 2-[(3-chloro-2-methylphenyl)amino]-3-pyridinecarboxylate (1:1)

9. Clonixin Lysinate

10. 06pw4m190r

11. L-lysine, Mono(2-((3-chloro-2-methylphenyl)amino)-3-pyridinecarboxylate)

12. Dolalgial

13. Mfcd07364029

14. 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic Acid;(2s)-2,6-diaminohexanoic Acid

15. 2-[(3-chloro-2-methylphenyl)amino]pyridine-3-carboxylic Acid (2s)-2,6-diaminohexanoic Acid

16. L-lysine Compound With 2-((3-chloro-2-methylphenyl)amino)nicotinic Acid (1:1)

17. Unii-06pw4m190r

18. Clonixin-lysinate

19. L-lysine, 2-((3-chloro-2-methylphenyl)amino)-3-pyridinecarboxylate (1:1)

20. Clonixil (tn)

21. L-clonixin Lysine Salt

22. Chembl4303711

23. Clonixin Lysine [mart.]

24. Chebi:76201

25. Dtxsid10204436

26. Clonixin Lysine Salt [mi]

27. Hms2098m10

28. Hms3715m10

29. L-lysine Clonixinate Hydrochloride

30. Clonixin Lysinate [who-dd]

31. L-lysine 2-[(3-chloro-2-methylphenyl)amino]-3-pyridinecarboxylate

32. Akos015895798

33. Ac-1606

34. Ccg-221104

35. 3-pyridinecarboxylic Acid, 2-((3-chloro-2-methylphenyl)amino)-, Compd. With L-lysine (1:1)

36. As-73002

37. Lysine Clonixinate (l-lysine Clonixinate)

38. R-173

39. D07728

40. D97791

41. 837l304

42. Sr-01000872701

43. Sr-01000872701-1

44. Q27145806

45. 2-(3-chloro-o-toluidino)nicotinic Acid, Lysine Salt

46. 2-[(3-chloro-2-methylphenyl)amino]nicotinic Acid--l-lysine (1/1)

47. (2s)-2,6-diazaniumylhexanoate 2-[(3-chloro-2-methylphenyl)amino]nicotinate

48. L-lysinemono (2-((3-chloro-2-methylphenyl)amino)-3-pyridinecarboxylate)

49. [(5s)-5-amino-5-carboxypentyl]azanium;2-(3-chloro-2-methylanilino)pyridine-3-carboxylate

50. (2s)-2,6-diaminohexanoic Acid; 2-[(3-chloro-2-methylphenyl)amino]pyridine-3-carboxylic Acid

2.4 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₂₅ClN₄O₄
Molecular Weight	408.9 g/mol
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	408.1564330 g/mol
Monoisotopic Mass	408.1564330 g/mol
Topological Polar Surface Area	152 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	407
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2