1. 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 Formula	C₃₃H₄₂O₁₉
Molecular Weight	742.7 g/mol
XLogP3	-2.4
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	15
Exact Mass	742.23202911 g/mol
Monoisotopic Mass	742.23202911 g/mol
Topological Polar Surface Area	293 Å²
Heavy Atom Count	52
Formal Charge	0
Complexity	1170
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
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

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

Technical details about Troxerutin, learn more about the structure, uses, toxicity, action, side effects and more

Troxerutin

Synopsis

Chemistry

APIs // Active Pharmaceutical Ingredients

11 Suppliers

3 USDMF

2 CEP/COS

9 Listed Suppliers

DEVELOPMENTS

1 Drug(s) in Development

PRICE INFORMATION

API Reference Price

API Exports

API Imports

FDF Imports

DOSSIERs // Finished Dosage Forms

19 Dossiers

11 Europe

8 Listed Dossiers

RELATED EXCIPIENT COMPANIES

Suppliers

2 Corel Pharma Chem

2 Lubrizol Life Science Health

1 Nanjing Well Pharmaceutical

EXCIPIENTS BY APPLICATIONS

4 Topical

1 Thickeners and Stabilizers

1 Parenteral

GLOBAL SALES INFORMATION

8 Finished Drug Prices

MARKET PLACE

11 APIs

REF. STANDARDS & IMPURITIES

1 EDQM

Troxerutin