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Chemistry

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Also known as: 30544-47-9, Bay d 1107, 2-(2-hydroxyethoxy)ethyl 2-((3-(trifluoromethyl)phenyl)amino)benzoate, 2-(2-hydroxyethoxy)ethyl 2-[3-(trifluoromethyl)anilino]benzoate, Tvx485, 2-(2-hydroxyethoxy)ethyl 2-{[3-(trifluoromethyl)phenyl]amino}benzoate
Molecular Formula
C18H18F3NO4
Molecular Weight
369.3  g/mol
InChI Key
XILVEPYQJIOVNB-UHFFFAOYSA-N
FDA UNII
KZF0XM66JC

Etofenamate
Etofenamate is used to treat muscle and joint paint. It is a non-steroidal anti-inflammatory drug (NSAID).
1 2D Structure

Etofenamate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(2-hydroxyethoxy)ethyl 2-[3-(trifluoromethyl)anilino]benzoate
2.1.2 InChI
InChI=1S/C18H18F3NO4/c19-18(20,21)13-4-3-5-14(12-13)22-16-7-2-1-6-15(16)17(24)26-11-10-25-9-8-23/h1-7,12,22-23H,8-11H2
2.1.3 InChI Key
XILVEPYQJIOVNB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C(=C1)C(=O)OCCOCCO)NC2=CC=CC(=C2)C(F)(F)F
2.2 Other Identifiers
2.2.1 UNII
KZF0XM66JC
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2-(2-hydroxyethoxy)-ethyl-n-(alpha,alpha,alpha-trifluoro- M-tolyl)anthranilate

2. Algesalona E

3. Aspitopic

4. Bayro

5. Flogoprofen

6. Rheuma-gel-ratiopharm

7. Rheumon

8. Traumon

9. Zenavan

2.3.2 Depositor-Supplied Synonyms

1. 30544-47-9

2. Bay D 1107

3. 2-(2-hydroxyethoxy)ethyl 2-((3-(trifluoromethyl)phenyl)amino)benzoate

4. 2-(2-hydroxyethoxy)ethyl 2-[3-(trifluoromethyl)anilino]benzoate

5. Tvx485

6. 2-(2-hydroxyethoxy)ethyl 2-{[3-(trifluoromethyl)phenyl]amino}benzoate

7. Whr-5020

8. Bayrogel

9. Rheumon

10. Kzf0xm66jc

11. Bayd-1107

12. Tvx-485

13. Bay-d-1107

14. 2-(2-hydroxyethoxy)ethyl-n-(alpha,alpha,alpha-trifluoro-m-tolyl)anthranilate

15. Benzoic Acid, 2-((3-(trifluoromethyl)phenyl)amino)-, 2-(2-hydroxyethoxy)ethyl Ester

16. Ncgc00016804-01

17. Rheumon Gel

18. Cas-30544-47-9

19. Benzoic Acid, 2-[[3-(trifluoromethyl)phenyl]amino]-, 2-(2-hydroxyethoxy)ethyl Ester

20. Dsstox_cid_25448

21. Dsstox_rid_80887

22. Dsstox_gsid_45448

23. Etofenamato

24. Etofenamatum

25. Etofenamatum [inn-latin]

26. Etofenamato [inn-spanish]

27. Tvx 485

28. Whr 5020

29. Einecs 250-231-8

30. Unii-kzf0xm66jc

31. Brn 2953263

32. Etofenamate [usan:inn:ban]

33. 2-(2-hydroxyethoxy)ethyl Fufenamate

34. 2-(2-hydroxyaethoxy)aethylester Der Flutenaminsaeure [german]

35. Etofenamate [mi]

36. Prestwick0_001014

37. Prestwick1_001014

38. Prestwick2_001014

39. Etofenamate [inn]

40. Etofenamate [jan]

41. Etofenamate (usan/inn)

42. Etofenamate [usan]

43. 2-(2-hydroxyethoxy)ethyl N-(alpha,alpha,alpha-trifluoro-m-tolyl)anthranilate

44. Etofenamate [mart.]

45. Schembl25152

46. Etofenamate [who-dd]

47. 2-(2-hydroxyaethoxy)aethylester Der Flutenaminsaeure

48. Spbio_003038

49. Chembl1451633

50. Dtxsid2045448

51. Chebi:94731

52. Ex-a275

53. Etofenamate [ep Monograph]

54. Etofenamate For Peak Identification

55. Hms1571k09

56. Hms3713h06

57. Bcp08746

58. Zinc2034516

59. Tox21_110618

60. Mfcd00242806

61. S6742

62. Akos026750534

63. Tox21_110618_1

64. Ccg-220592

65. Cs-0905

66. Db08984

67. Anthranilic Acid, N-(alpha,alpha,alpha-trifluoro-m-tolyl)-, 2-(2-hydroxyethoxy)ethyl Ester

68. Ncgc00016804-02

69. Ncgc00016804-03

70. Ac-35208

71. As-73948

72. Da-33632

73. Hy-17361

74. Ft-0668428

75. D04102

76. 544e479

77. Q414378

78. Sr-01000872640

79. J-018005

80. Sr-01000872640-1

81. Brd-k73541271-001-01-0

82. Z1248763315

83. 2-[3-(trifluoromethyl)anilino]benzoic Acid 2-(2-hydroxyethoxy)ethyl Ester

84. Tv-485;tv485;tv 485; Whr-5020; Whr 5020; Whr5020

85. 2-(2-hydroxyethoxy)ethyl N-(.alpha.,.alpha.,.alpha.-trifluoro-m-tolyl)anthranilate

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 369.3 g/mol
Molecular Formula C18H18F3NO4
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass369.11879254 g/mol
Monoisotopic Mass369.11879254 g/mol
Topological Polar Surface Area67.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity433
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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.)


4.2 ATC Code

M02AA06

S76 | LUXPHARMA | Pharmaceuticals Marketed in Luxembourg | Pharmaceuticals marketed in Luxembourg, as published by d'Gesondheetskeess (CNS, la caisse nationale de sante, www.cns.lu), mapped by name to structures using CompTox by R. Singh et al. (in prep.). List downloaded from https://cns.public.lu/en/legislations/textes-coordonnes/liste-med-comm.html. Dataset DOI:10.5281/zenodo.4587355


M - Musculo-skeletal system

M02 - Topical products for joint and muscular pain

M02A - Topical products for joint and muscular pain

M02AA - Antiinflammatory preparations, non-steroids for topical use

M02AA06 - Etofenamate


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21-Jun-2022
10-May-2024
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