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Ramatroban

Ramatroban

Synopsis, Chemistry

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Also known as: 116649-85-5, Baynas, Bay u3405, Bay u 3405, Bay-u-3405, Bay-u 3405

Molecular Formula

C₂₁H₂₁FN₂O₄S

Molecular Weight

416.5 g/mol

InChI Key

LDXDSHIEDAPSSA-OAHLLOKOSA-N

FDA UNII

P1ALI72U6C

Ramatroban has been used in trials studying the treatment of Asthma.

1 2D Structure

Ramatroban

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid

2.1.2 InChI

InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1

2.1.3 InChI Key

LDXDSHIEDAPSSA-OAHLLOKOSA-N

2.1.4 Canonical SMILES

C1CC2=C(CC1NS(=O)(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4N2CCC(=O)O

2.1.5 Isomeric SMILES

C1CC2=C(C[C@@H]1NS(=O)(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4N2CCC(=O)O

2.2 Other Identifiers

2.2.1 UNII

P1ALI72U6C

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3-(4-fluorophenylsulfonamido)-1,2,3,4-tetrahydro-9-carbazole Propanoic Acid

2. Bay U 3405

3. Bay U 3406

4. Bay U-3405

5. Bay U3405

2.3.2 Depositor-Supplied Synonyms

1. 116649-85-5

2. Baynas

3. Bay U3405

4. Bay U 3405

5. Bay-u-3405

6. Bay-u 3405

7. 3-[(3r)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic Acid

8. (+)-(3r)-3-(p-fluorobenzenesulfonamido)-1,2,3,4-tetrahydrocarbazole-9-propionic Acid

9. P1ali72u6c

10. (r)-3-(3-(4-fluorophenylsulfonamido)-3,4-dihydro-1h-carbazol-9(2h)-yl)propanoic Acid

11. 9h-carbazole-9-propanoic Acid, 3-[[(4-fluorophenyl)sulfonyl]amino]-1,2,3,4-tetrahydro-, (3r)-

12. En-137774

13. Chembl361812

14. Ncgc00167519-01

15. En 137774

16. Bay U 3406

17. Bay U-3405

18. (3r)-3-[[(4-fluorophenyl)sulfonyl]amino]-1,2,3,4-tetrahydro-9h-carbazole-9-propanoic Acid

19. Dsstox_cid_26685

20. Dsstox_rid_81819

21. Dsstox_gsid_46685

22. [3h]ramatroban

23. [3h]baynas

24. Baynas (tn)

25. Cas-116649-85-5

26. Ramatroban (jan/inn)

27. Ramatroban [inn:ban]

28. Unii-p1ali72u6c

29. 3-(4-fluorophenylsulfonamido)-1,2,3,4-tetrahydro-9-carbazole Propanoic Acid

30. [3h]bay U 3405

31. [3h]bay U3405

32. 3r-[[(4-fluorophenyl)sulfonyl]amino]-1,2,3,4-tetrahydro-9h-carbazole-9-propanoic Acid

33. (3r)-3-(((4-fluorophenyl)sulfonyl)amino)-1,2,3,4-tetrahydro-9h-carbazole-9-propanoic Acid

34. 9h-carbazole-9-propanoic Acid, 3-(((4-fluorophenyl)sulfonyl)amino)-1,2,3,4-tetrahydro-, (3r)-

35. Mfcd00887606

36. Ramatroban [mi]

37. Ramatroban [inn]

38. Ramatroban [jan]

39. Ramatroban [mart.]

40. 9h-carbazole-9-propanoic Acid, 3-(((4-fluorophenyl)sulfonyl)amino)-1,2,3,4-tetrahydro-, (r)-

41. Ramatroban [who-dd]

42. Ramatroban (bay U3405)

43. Schembl29030

44. Mls006010637

45. Gtpl1910

46. Gtpl1911

47. Dtxsid1046685

48. Chebi:32087

49. Hms3648e21

50. Bay U3405;bay-u3405

51. Ex-a4208

52. Hy-b0745

53. Zinc3798772

54. Tox21_112516

55. Ac-719

56. Bdbm50161746

57. S5286

58. Akos015966619

59. Ramatroban, >=98% (hplc), Solid

60. Tox21_112516_1

61. Ccg-268842

62. Db13036

63. Ks-1310

64. Ncgc00167519-02

65. Ncgc00167519-04

66. Ncgc00167519-07

67. Smr002530322

68. R0144

69. D01128

70. 649f855

71. A803658

72. Sr-01000883932

73. Sr-01000946208

74. J-003466

75. Sr-01000883932-1

76. Sr-01000946208-1

77. Q10357327

78. (r)-3-(3-(4-fluorophenylsulfonamido)-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic Acid

79. (r)-3-(3-(4-fluorophenylsulfonamido)-3,4-dihydro-1h-carbazol-9(2h)-yl)propanoicacid

80. [(4-fluorophenyl)sulfonylamino] 3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoate

81. 3(r)-[[(4-fluoro-phenyl) Sulfonyl]amino]-1,2,3,4-tetrahydro-9h-carbazole-9-propanoic Acid

82. 3-[(r)-3-(4-fluoro-benzenesulfonylamino)-1,2,3,4-tetrahydro-carbazol-9-yl]-propionic Acid

83. A8x

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₂₁FN₂O₄S
Molecular Weight	416.5 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	416.12060649 g/mol
Monoisotopic Mass	416.12060649 g/mol
Topological Polar Surface Area	96.8 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	689
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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

Platelet Aggregation Inhibitors

Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system. (See all compounds classified as Platelet Aggregation Inhibitors.)