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MolPort-001-758-008

MolPort-001-758-008

Synopsis, Chemistry

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Also known as: 58186-27-9, 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, Idebenona, Idebenonum, Sovrima, Hydroxydecyl ubiquinone

Molecular Formula

C₁₉H₃₀O₅

Molecular Weight

338.4 g/mol

InChI Key

JGPMMRGNQUBGND-UHFFFAOYSA-N

FDA UNII

HB6PN45W4J

1 2D Structure

MolPort-001-758-008

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione

2.1.2 InChI

InChI=1S/C19H30O5/c1-14-15(12-10-8-6-4-5-7-9-11-13-20)17(22)19(24-3)18(23-2)16(14)21/h20H,4-13H2,1-3H3

2.1.3 InChI Key

JGPMMRGNQUBGND-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCCO

2.2 Other Identifiers

2.2.1 UNII

HB6PN45W4J

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Cv 2619

2. Cv-2619

3. Hydroxydecyl Ubiquinone

4. Noben

5. Raxone

2.3.2 Depositor-Supplied Synonyms

1. 58186-27-9

2. 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione

3. Idebenona

4. Idebenonum

5. Sovrima

6. Hydroxydecyl Ubiquinone

7. Cv 2619

8. Cv-2619

9. Oristar Hdu

10. Brn 2001459

11. Chebi:31687

12. 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-1,4-benzoquinone

13. 6-(10-hydroxydecyl)-2,3-dimethoxy-5-methyl-1,4-benzoquinone

14. Nsc-759228

15. Hb6pn45w4j

16. 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-2,5-cyclohexadiene-1,4-dione

17. 2,5-cyclohexadiene-1,4-dione, 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-

18. 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-p-benzoquinone

19. Raxone

20. 5,6-dimethoxy-2-(10-hydroxydecyl)-3-methyl-1,4-benzoquinone

21. Mfcd00274552

22. Ncgc00160514-01

23. 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylbenzo-1,4-quinone

24. Idebenone [inn:jan]

25. Dsstox_cid_20678

26. Dsstox_rid_79536

27. Dsstox_gsid_40678

28. Idebenonum [latin]

29. Idebenona [spanish]

30. 2,3-dimethoxy-5-methyl-6-(10'-hydroxydecyl)-1,4-benzoquinone

31. 2,3-dimethoxy-6-(10-hydroxydecyl)-5-methyl-1,4-benzoquinone

32. Smr000466364

33. Cas-58186-27-9

34. Sr-01000759378

35. Unii-hb6pn45w4j

36. Cerestabon

37. Catena

38. Mnesis

39. Avan

40. Idebenone- Bio-x

41. Raxone (tn)

42. 1189907-75-2

43. Idebenone [inn]

44. Idebenone [jan]

45. Idebenone [mi]

46. Idebenone [usan]

47. Idebenone [mart.]

48. Idebenone [who-dd]

49. Snt-mc17

50. Schembl28320

51. Idebenone [ema Epar]

52. Idebenone (jan/usan/inn)

53. Mls000759487

54. Mls001032035

55. Mls001424002

56. Mls006011882

57. Idebenone, Analytical Standard

58. Chembl252556

59. Qsa-10

60. Dtxsid0040678

61. Idebenone, >=98% (hplc)

62. Fr114

63. Hms2051o06

64. Hms2089d08

65. Hms3393o06

66. Hms3656k22

67. Hms3713a10

68. Hms3884b12

69. Pharmakon1600-01505755

70. Albb-027258

71. Bcp09116

72. Hy-n0303

73. Str09227

74. Zinc1542890

75. Tox21_111864

76. Bbl025842

77. Bdbm50505498

78. Nsc759228

79. S2605

80. Stk801942

81. Hydroxydecyl Ubiquinone [inci]

82. 2,5-cyclohexadiene-1,4-dione, 5,6-dimethoxy-2-(10-hydroxydecyl)-3-methyl-

83. Akos005622577

84. Tox21_111864_1

85. Ac-4337

86. Ccg-100846

87. Ks-5193

88. Nc00096

89. Nsc 759228

90. Sb19130

91. Ncgc00160514-02

92. Ncgc00160514-03

93. Bi164565

94. Sy051193

95. Sbi-0207024.p001

96. Db-053168

97. Ft-0617205

98. I0848

99. Sw219495-1

100. D01750

101. H10427

102. Ab00639997-04

103. Ab00639997-06

104. Ab00639997_07

105. Ab00639997_08

106. 186i279

107. A-68500

108. Q4197874

109. Sr-01000759378-4

110. Sr-01000759378-5

111. Sr-01000759378-6

112. Brd-k37516142-001-01-4

113. 2,3-dimethoxy-6-(10-hydroxydecyl)-5-methylbenzoquinone

114. 2,3-dimethoxy-6-(10-hydroxydecyl)-5-methyl-1,4benzoquinone

115. 2-(10-hydroxydecyl)-6-methoxy-3-methyl-5-(trideuteriomethoxy)cyclohexa-2,5-diene-1,4-dione

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₃₀O₅
Molecular Weight	338.4 g/mol
XLogP3	4.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	12
Exact Mass	338.20932405 g/mol
Monoisotopic Mass	338.20932405 g/mol
Topological Polar Surface Area	72.8 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	502
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 Drug and Medication Information

4.1 Drug Indication

Raxone is indicated for the treatment of visual impairment in adolescent and adult patients with Lebers Hereditary Optic Neuropathy (LHON).

Treatment of Friedreichs Ataxia

5 Pharmacology and Biochemistry

5.1 MeSH Pharmacological Classification

Antioxidants

Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues. (See all compounds classified as Antioxidants.)

5.2 ATC Code

N06BX13

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

N - Nervous system

N06 - Psychoanaleptics

N06B - Psychostimulants, agents used for adhd and nootropics

N06BX - Other psychostimulants and nootropics

N06BX13 - Idebenone