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Ketoprofen Lysinate

Ketoprofen Lysinate

Synopsis, Chemistry

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Also known as: Ketoprofen lysinate, 57469-78-0, Ketoprofen lysine salt, Lysyl-ketoprofen, Artrosilene, Ketoprofen l-lysinate

Molecular Formula

C₂₂H₂₈N₂O₅

Molecular Weight

400.5 g/mol

InChI Key

VHIORVCHBUEWEP-ZSCHJXSPSA-N

FDA UNII

5WD00E3D4C

1 2D Structure

Ketoprofen Lysinate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(3-benzoylphenyl)propanoic acid;(2S)-2,6-diaminohexanoic acid

2.1.2 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

2.1.3 InChI Key

VHIORVCHBUEWEP-ZSCHJXSPSA-N

2.1.4 Canonical SMILES

CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O.C(CCN)CC(C(=O)O)N

2.1.5 Isomeric SMILES

CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O.C(CCN)C[C@@H](C(=O)O)N

2.2 Other Identifiers

2.2.1 UNII

5WD00E3D4C

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Artrosilene

2. Lysyl-ketoprofen

2.3.2 Depositor-Supplied Synonyms

1. Ketoprofen Lysinate

2. 57469-78-0

3. Ketoprofen Lysine Salt

4. Lysyl-ketoprofen

5. Artrosilene

6. Ketoprofen L-lysinate

7. Ketoprofen (lysinate)

8. L-lysine, Mono(3-benzoyl-alpha-methylbenzeneacetate)

9. 5wd00e3d4c

10. (s)-2,6-diaminohexanoic Acid Compound With 2-(3-benzoylphenyl)propanoic Acid (1:1)

11. 2-(3-benzoylphenyl)propanoic Acid;(2s)-2,6-diaminohexanoic Acid

12. Unii-5wd00e3d4c

13. Artrosilene (tn)

14. Schembl4623586

15. Chembl4650345

16. Hy-b0227a

17. Ketoprofen Lysine [who-dd]

18. Ketoprofen Lysine Salt [mi]

19. Mfcd03701078

20. Akos025311486

21. As-17318

22. Cs-0137969

23. D08102

24. 469k780

25. Q27262959

26. L-lysine, 3-benzoyl-.alpha.-methylbenzeneacetate (1:1)

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₂₈N₂O₅
Molecular Weight	400.5 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Exact Mass	400.19982200 g/mol
Monoisotopic Mass	400.19982200 g/mol
Topological Polar Surface Area	144 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	437
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Anti-Inflammatory Agents, Non-Steroidal

Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects. (See all compounds classified as Anti-Inflammatory Agents, Non-Steroidal.)