Diclofenac Diethylammonium

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Also known as: 78213-16-8, Diclofenac (diethylamine), Diclofenac diethylammonium salt, 6tgq35z71k, 2-[2-(2,6-dichloroanilino)phenyl]acetic acid;n-ethylethanamine, Voltarol

Molecular Formula

C₁₈H₂₂Cl₂N₂O₂

Molecular Weight

369.3 g/mol

InChI Key

ZQVZPANTCLRASL-UHFFFAOYSA-N

FDA UNII

6TGQ35Z71K

1 2D Structure

Diclofenac Diethylammonium

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[2-(2,6-dichloroanilino)phenyl]acetic acid;N-ethylethanamine

2.1.2 InChI

InChI=1S/C14H11Cl2NO2.C4H11N/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;1-3-5-4-2/h1-7,17H,8H2,(H,18,19);5H,3-4H2,1-2H3

2.1.3 InChI Key

ZQVZPANTCLRASL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCNCC.C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl

2.2 Other Identifiers

2.2.1 UNII

6TGQ35Z71K

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 78213-16-8

2. Diclofenac (diethylamine)

3. Diclofenac Diethylammonium Salt

4. 6tgq35z71k

5. 2-[2-(2,6-dichloroanilino)phenyl]acetic Acid;n-ethylethanamine

6. Voltarol

7. Mfcd01862249

8. Benzeneacetic Acid, 2-((2,6-dichlorophenyl)amino)-, Compd. With N-ethylethanamine (1:1)

9. Diclofenac Diethylammonium

10. Diclofenac Diethylamine Salt

11. Unii-6tgq35z71k

12. Voltaren Emulgel (tn)

13. N-ethylethanaminium{2-[(2,6-dichlorophenyl)amino]phenyl}acetate

14. Diethylammonium Diclofenac

15. 2-((2,6-dichlorophenyl)amino)benzeneacetic Acid, Compd. With N-ethylethanamine

16. Schembl1116300

17. Dtxsid40999449

18. 4-bromo-4-methoxybiphenyl

19. Hms3651l18

20. Hms3885e07

21. Bcp24521

22. Hy-15036a

23. S3063

24. Akos015907253

25. Ccg-268279

26. Diclofenac Diethylamine [mart.]

27. Ks-5039

28. Diclofenac Diethylamine [who-dd]

29. Sy110689

30. Db-056293

31. Diclofenac Diethylammonium Salt [mi]

32. Ft-0603077

33. Sw219367-1

34. D07817

35. H10150

36. 213d168

37. A923342

38. Diclofenac Diethylamine (diethylammonium Diclofenac)

39. Q27265501

40. Diethylamine 2-(2-(2,6-dichlorophenylamino)phenyl)acetate

41. [2-(2,6-dichloroanilino)phenyl]acetic Acid--n-ethylethanamine (1/1)

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₂₂Cl₂N₂O₂
Molecular Weight	369.3 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	368.1058333 g/mol
Monoisotopic Mass	368.1058333 g/mol
Topological Polar Surface Area	61.4 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	315
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2