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Benorilate

Benorilate

Synopsis, Chemistry

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Also known as: 5003-48-5, Benorylate, 4-acetamidophenyl 2-acetoxybenzoate, Salipran, Benoral, Benortan

Molecular Formula

C₁₇H₁₅NO₅

Molecular Weight

313.30 g/mol

InChI Key

FEJKLNWAOXSSNR-UHFFFAOYSA-N

FDA UNII

W1QX9DV96G

1 2D Structure

Benorilate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4-acetamidophenyl) 2-acetyloxybenzoate

2.1.2 InChI

InChI=1S/C17H15NO5/c1-11(19)18-13-7-9-14(10-8-13)23-17(21)15-5-3-4-6-16(15)22-12(2)20/h3-10H,1-2H3,(H,18,19)

2.1.3 InChI Key

FEJKLNWAOXSSNR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2OC(=O)C

2.2 Other Identifiers

2.2.1 UNII

W1QX9DV96G

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-acetoxy-4'-acetaminophenylbenzoate

2. 4-acetamidophenyl-o-acetylsalicylate

3. Benoral

4. Benorylate

5. Salipran

2.3.2 Depositor-Supplied Synonyms

1. 5003-48-5

2. Benorylate

3. 4-acetamidophenyl 2-acetoxybenzoate

4. Salipran

5. Benoral

6. Benortan

7. Fenasprate

8. Fenasparate

9. Aspirin Acetaminophen Ester

10. Benorilato

11. Win 11450

12. Benzoic Acid, 2-(acetyloxy)-, 4-(acetylamino)phenyl Ester

13. 4-acetamidophenyl Salicylate Acetate

14. P-acetamidophenyl Acetylsalicylate

15. P-n-acetylaminophenylacetylsalicylate

16. To 125

17. (4-acetamidophenyl) 2-acetyloxybenzoate

18. 2-acetoxy-4'-(acetamino)phenylbenzoate

19. 4'-(acetamido)phenyl-2-acetoxybenzoate

20. W1qx9dv96g

21. 2-(acetyloxy)benzoic Acid 4-(acetylamino)phenyl Ester

22. Benorilate (inn)

23. Win-11450

24. Salicylic Acid, Acetate, Ester With 4'-hydroxyacetanilide

25. Ncgc00167468-01

26. Benorilate 100 Microg/ml In Acetonitrile

27. Benorilate [inn]

28. 4-(acetylamino)phenyl 2-(acetyloxy)benzoate

29. Dsstox_cid_2649

30. Dsstox_rid_76674

31. Dsstox_gsid_22649

32. Benorilato [spanish]

33. Benorilatum

34. Quinexin

35. Benorilatum [inn-latin]

36. Benorilato [inn-spanish]

37. Cas-5003-48-5

38. Ccris 1739

39. Einecs 225-674-5

40. Unii-w1qx9dv96g

41. Brn 2166628

42. Benorilate [inn:ban:dcf]

43. Benorilate,(s)

44. Benorylate [mi]

45. Benorilate [mart.]

46. Benorilate [who-dd]

47. Schembl25167

48. 2-(acetyloxy)-benzoicacid 4-(acetylamino)phenylester

49. Chembl162036

50. Zinc1003

51. Dtxsid5022649

52. Chebi:135340

53. Bcpp000346

54. Bcp13353

55. Tox21_112472

56. Mfcd00864257

57. S5043

58. Akos016010035

59. Tox21_112472_1

60. Ccg-267615

61. Db13657

62. Ks-5206

63. Ncgc00167468-02

64. Ac-12036

65. As-13290

66. Bcp0726000190

67. Hy-107795

68. Cs-0030669

69. Ft-0740917

70. 4-(acetylamino)phenyl 2-(acetyloxy)benzoate #

71. A18816

72. D07291

73. Q373243

74. Sr-01000944978

75. J-514276

76. Sr-01000944978-1

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₅NO₅
Molecular Weight	313.30 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	313.09502258 g/mol
Monoisotopic Mass	313.09502258 g/mol
Topological Polar Surface Area	81.7 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	442
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	1

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

N - Nervous system

N02 - Analgesics

N02B - Other analgesics and antipyretics

N02BA - Salicylic acid and derivatives

N02BA10 - Benorilate