Please Wait
Applying Filters...
Menu
$ API Ref.Price (USD/KG) : 62Xls
2D Structure
Also known as: 7085-55-4, Posorutin, Troxerutine, Vitamin p4, Venoruton p4, Trioxyethylrutin
Molecular Formula
C33H42O19
Molecular Weight
742.7  g/mol
InChI Key
IYVFNTXFRYQLRP-VVSTWUKXSA-N
FDA UNII
7Y4N11PXO8

Troxerutin has been used in trials studying the treatment of Chronic Venous Insufficiency.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
2.1.2 InChI
InChI=1S/C33H42O19/c1-14-23(38)26(41)28(43)32(49-14)48-13-21-24(39)27(42)29(44)33(51-21)52-31-25(40)22-17(37)11-16(45-7-4-34)12-20(22)50-30(31)15-2-3-18(46-8-5-35)19(10-15)47-9-6-36/h2-3,10-12,14,21,23-24,26-29,32-39,41-44H,4-9,13H2,1H3/t14-,21+,23-,24+,26+,27-,28+,29+,32+,33-/m0/s1
2.1.3 InChI Key
IYVFNTXFRYQLRP-VVSTWUKXSA-N
2.1.4 Canonical SMILES
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OCCO)C5=CC(=C(C=C5)OCCO)OCCO)O)O)O)O)O)O
2.1.5 Isomeric SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OCCO)C5=CC(=C(C=C5)OCCO)OCCO)O)O)O)O)O)O
2.2 Other Identifiers
2.2.1 UNII
7Y4N11PXO8
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 3',4',7-trihydroxyethylrutin

2. 3',4',7-tris(o-(2- Hydroxyethyl))rutin

3. Oxerutin

4. Paroven

5. Posorutin

6. Relvene

7. Rhoflux

8. Teboven

9. Troxrutine Mazal

10. Troxerutin-ratiopharm

11. Troxeven

12. Vastribil

13. Veinamitol

14. Veniten Retard

15. Veno Sl

16. Venorutin

17. Venoruton

18. Venoruton P4

19. Venotrulan Trox

20. Vitamin P4

2.3.2 Depositor-Supplied Synonyms

1. 7085-55-4

2. Posorutin

3. Troxerutine

4. Vitamin P4

5. Venoruton P4

6. Trioxyethylrutin

7. Trihydroxyethylrutin

8. 3',4',7-tris(hydroxyethyl)rutin

9. Factor P-zyma

10. Rufen-p4

11. Tris(hydroxyethyl)rutin

12. Tris(hydroxyethyl)rutoside

13. Troxerutin (inn)

14. Z 6000

15. 7y4n11pxo8

16. Nsc-758937

17. Pherarutin

18. Vastribil

19. Veinamitol

20. Troxerutin [inn]

21. Z-6000

22. Veno Sl

23. 2-(3,4-bis(2-hydroxyethoxy)phenyl)-5-hydroxy-7-(2-hydroxyethoxy)-3-(((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-((((2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl)oxy)methyl)tetrahydro-2h-pyran-2-yl)oxy)-4h-chromen-4-one

24. Troksevazin

25. Troxarutin

26. Troxerutina

27. Troxerutinum

28. Helveton

29. Venaroid

30. Veniten

31. Flebil

32. Ruven

33. 3,5-dihydroxy-3',4',7-tris(2-hydroxyethoxy)flavone 3-rutinoside

34. Pur-rutin

35. Veinamitol Pulver

36. 4h-1-benzopyran-4-one, 2-[3,4-bis(2-hydroxyethoxy)phenyl]-3-[[6-o-(6-deoxy-.alpha.-l-mannopyranosyl)-.beta.-d-glucopyranosyl]oxy]-5-hydroxy-7-(2-hydroxyethoxy)-

37. Troxarutin-ratiopharm

38. Trihydroxyethylrutoside

39. Troxerutine [inn-french]

40. Troxerutinum [inn-latin]

41. Troxerutina [inn-spanish]

42. Unii-7y4n11pxo8

43. Troxerutin [inn:ban:dcf]

44. Venoruton Gel

45. Ccris 1798

46. Trihydroxyethylrutoside [french]

47. Triher

48. Troxerutin,(s)

49. Ncgc00095147-01

50. 2-(3,4-bis(2-hydroxyethoxy)phenyl)-5-hydroxy-7-(2-hydroxyethoxy)-3-((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(((2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yloxy)methyl)tetrahydro-2h-pyran-2-yloxy)-4h-chromen-4-one

51. 4h-1-benzopyran-4-one, 2-(3,4-bis(2-hydroxyethoxy)phenyl)-3-((6-o-(6-deoxy-.alpha.-l-mannopyranosyl)-.beta.-d-glucopyranosyl)oxy)-5-hydroxy-7-(2-hydroxyethoxy)-

52. Einecs 230-389-4

53. Troxerutin (85%)

54. Brn 4778232

55. 7,3',4'-tris(o-(2-hydroxyethyl)rutin

56. Troxerutin [mi]

57. Troxerutin [inci]

58. Troxerutin [mart.]

59. Dsstox_cid_25929

60. Dsstox_rid_81230

61. Troxerutin [who-dd]

62. Dsstox_gsid_45929

63. Schembl142110

64. Tris-o-(2-hydroxyethyl)rutin

65. Chembl3182320

66. Dtxsid4045929

67. Tris-o-(b-hydroxyethyl)rutoside

68. Unii-808o347b5y

69. Troxerutin [ep Monograph]

70. Hy-n0139

71. Tox21_111450

72. Mfcd00893813

73. S2369

74. Zinc85552699

75. Akos016339659

76. Succinimidyln-methylanthranilate

77. Trihydroxyethylrutin, >=80% (hplc)

78. 808o347b5y

79. Ccg-270428

80. Cs-8204

81. Db13124

82. Ks-1394

83. Nsc 758937

84. 2-(3,4-bis(2-hydroxyethoxy)phenyl)-3-((6-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranosyl)oxy)-5-hydroxy-7-(2-hydroxy Ethoxy)-4h-1-benzopyran-4-one

85. 2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

86. 3',4',7-tri-o-(b-hydroxyethyl)rutoside

87. Cas-7085-55-4

88. O-(beta-hydroxyethyl)-tutinosides (mixture)

89. 3,4,7-tris-o-(2-hydroxyethyl)rutin

90. D07180

91. 085t554

92. A837010

93. Brd-k73529671-001-04-5

94. O-(.beta.-hydroxyethyl)rutoside, (3',4',7)-tri-

95. Troxerutin, European Pharmacopoeia (ep) Reference Standard

96. 2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-3-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one

97. 2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4h-chromen-4-one

98. 2-[3,4-bis(2-hydroxyethyloxy)phenyl]-7-(2-hydroxyethyloxy)-3-[(2s,3r,4s,5s,6r)-6-[[(2r,3r,4r,5r,6s)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chromen-4-one

99. 3-[6-o-(6-deoxy-a-l-mannopyranosyl)-b-d-glucopyranoside]3,5-dihydroxy-3',4',7-tris(2-hydroxyethoxy)-flavone

100. 3-[6-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-delta-glucopyranoside]3,5-dihydroxy-3',4',7-tris(2-hydroxyethoxy)-flavone

101. 4h-1-benzopyran-4-one,2-[3,4-bis(2-hydroxyethoxy)phenyl]-3-[[6-o-(6-deoxy-a-l-mannopyranosyl)-b-d-glucopyranosyl]oxy]-5-hydroxy-7-(2-hydroxyethoxy)-

102. 55965-63-4

103. Flavone, 3,5-dihydroxy-3',4',7-tris(2-hydroxyethoxy)-, 3-(6-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranoside)

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 742.7 g/mol
Molecular Formula C33H42O19
XLogP3-2.4
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count19
Rotatable Bond Count15
Exact Mass742.23202911 g/mol
Monoisotopic Mass742.23202911 g/mol
Topological Polar Surface Area293 Ų
Heavy Atom Count52
Formal Charge0
Complexity1170
Isotope Atom Count0
Defined Atom Stereocenter Count10
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

Anticoagulants

Agents that prevent BLOOD CLOTTING. (See all compounds classified as Anticoagulants.)


4.2 ATC Code

C05CA04

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


C - Cardiovascular system

C05 - Vasoprotectives

C05C - Capillary stabilizing agents

C05CA - Bioflavonoids

C05CA04 - Troxerutin