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DSSTox_CID_3497
Also known as: 52549-17-4, Niflan, Pyranoprofen, 2-(5h-chromeno[2,3-b]pyridin-7-yl)propanoic acid, Elicapric, Y-8004
Molecular Formula
C15H13NO3
Molecular Weight
255.27  g/mol
InChI Key
TVQZAMVBTVNYLA-UHFFFAOYSA-N
FDA UNII
2R7O1ET613

1 2D Structure

DSSTox_CID_3497

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(5H-chromeno[2,3-b]pyridin-7-yl)propanoic acid
2.1.2 InChI
InChI=1S/C15H13NO3/c1-9(15(17)18)10-4-5-13-12(7-10)8-11-3-2-6-16-14(11)19-13/h2-7,9H,8H2,1H3,(H,17,18)
2.1.3 InChI Key
TVQZAMVBTVNYLA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C1=CC2=C(C=C1)OC3=C(C2)C=CC=N3)C(=O)O
2.2 Other Identifiers
2.2.1 UNII
2R7O1ET613
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2-(5h-(1)benzopyrano(2,3-b)pyridin-7-yl)propionic Acid

2. Alpha-methyl-5h-(1)benzopyrano(2,3-b)pyridine-7-acetic Acid

3. Niflan

4. Nifran

5. Oftalar

6. Pyranoprofen

7. Pyranoprofen, Methyl-14c-labeled

8. Zaltoprofen

2.3.2 Depositor-Supplied Synonyms

1. 52549-17-4

2. Niflan

3. Pyranoprofen

4. 2-(5h-chromeno[2,3-b]pyridin-7-yl)propanoic Acid

5. Elicapric

6. Y-8004

7. Nsc-759832

8. 2-{5h-chromeno[2,3-b]pyridin-7-yl}propanoic Acid

9. 2-(5h-(1)benzopyrano(2,3-b)pyridin-7-yl)propionic Acid

10. Chembl367463

11. 2r7o1et613

12. 2-(5h-[1]benzopyrano[2,3-b]pyridin-7-yl)propionic Acid

13. Ncgc00167980-01

14. Dsstox_cid_3497

15. Dsstox_rid_77055

16. Dsstox_gsid_23497

17. Pranoprofene

18. Pranoprofeno

19. Pranoprofenum

20. Pranoprofen [inn:jan]

21. Pranoprofene [inn-french]

22. Pranoprofenum [inn-latin]

23. Pranoprofeno [inn-spanish]

24. Cas-52549-17-4

25. Sr-05000001513

26. Brn 0889798

27. Pransus

28. Unii-2r7o1et613

29. Pranoprofen;

30. Elicapric (tn)

31. 2-(5h-(1)benzopyrano(2,3-b)pyridin-7yl)propionic Acid

32. Alpha-methyl-5h-(1)-benzopyrano(2,3-b)pyridine-7-acetic Acid

33. Alpha-methyl-5h-(1)benzopyrano(2,3-b)pyridine-7-acetic Acid

34. Pranoprofen [mi]

35. Pranoprofen [inn]

36. Pranoprofen [jan]

37. Pranoprofen (jp17/inn)

38. Pranoprofen [mart.]

39. Schembl26008

40. Pranoprofen [who-dd]

41. Dtxsid1023497

42. Chebi:32040

43. Pranoprofen, >=98% (hplc)

44. (2s)-2-(5h-chromeno[2,3-b]pyridin-7-yl)propanoic Acid

45. Hms2090j03

46. Hms3651g06

47. Hms3714i03

48. Hms3884o16

49. Pharmakon1600-01502324

50. 5h-(1)benzopyrano(2,3,-b)pyridine-7-acetic Acid, Alpha-methyl-

51. Bcp11947

52. Ex-a5741

53. Hy-b0336

54. Tox21_112601

55. 5h-[1]benzopyrano[2,3-b]pyridine-7-acetic Acid, .alpha.-methyl-

56. Ac-697

57. Bdbm50286819

58. Mfcd00866111

59. Nsc759832

60. S1960

61. Akos015918442

62. Tox21_112601_1

63. Ccg-213822

64. Db13514

65. Nsc 759832

66. Ncgc00167980-02

67. As-12631

68. Ft-0652901

69. P2778

70. Sw199147-2

71. D01578

72. F17350

73. Ab01275517-01

74. Ab01275517_02

75. Ab01275517_03

76. 2-(5h-chromeno[2,3-b]pyridin-7-yl)propanoicacid

77. 549p174

78. Q-201611

79. Q7238394

80. Sr-05000001513-1

81. Sr-05000001513-2

82. Brd-a64610707-001-01-0

83. I2-(10h-9-oxa-1-aza-anthracen-6-yl)-propionic Acid

84. 2-(5h-[1]benzopyrano-[2,3-b]pyridin-7-yl)propionic Acid

85. .alpha.-methyl-5h-(1)benzopyrano(2,3-b)pyridine-7-acetic Acid

2.4 Create Date
2005-03-25
3 Chemical and Physical Properties
Molecular Weight 255.27 g/mol
Molecular Formula C15H13NO3
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass255.08954328 g/mol
Monoisotopic Mass255.08954328 g/mol
Topological Polar Surface Area59.4 Ų
Heavy Atom Count19
Formal Charge0
Complexity346
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Gout Suppressants

Agents that increase uric acid excretion by the kidney (URICOSURIC AGENTS), decrease uric acid production (antihyperuricemics), or alleviate the pain and inflammation of acute attacks of gout. (See all compounds classified as Gout Suppressants.)


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

S01BC09

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


S - Sensory organs

S01 - Ophthalmologicals

S01B - Antiinflammatory agents

S01BC - Antiinflammatory agents, non-steroids

S01BC09 - Pranoprofen


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