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Overview of Acetovanillone

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4hydroxy-3-methoxyacetophenone
PharmaCompass
4hydroxy-3-methoxyacetophenone
Also known as: Apocynin, 498-02-2, 1-(4-hydroxy-3-methoxyphenyl)ethanone, 4'-hydroxy-3'-methoxyacetophenone, Acetoguaiacone, Acetoguaiacon
Molecular Formula
C9H10O3
Molecular Weight
166.176  g/mol
InChI Key
DFYRUELUNQRZTB-UHFFFAOYSA-N
FDA UNII
B6J7B9UDTR

Acetovanillone has been used in trials studying the treatment of Bronchial Asthma and Chronic Obstructive Pulmonary Disease.
1 2D Structure

4hydroxy-3-methoxyacetophenone

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(4-hydroxy-3-methoxyphenyl)ethanone
2.1.2 InChI
InChI=1S/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3
2.1.3 InChI Key
DFYRUELUNQRZTB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=O)C1=CC(=C(C=C1)O)OC
2.2 Other Identifiers
2.2.1 UNII
B6J7B9UDTR
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Apocynin

2. 498-02-2

3. 1-(4-hydroxy-3-methoxyphenyl)ethanone

4. 4'-hydroxy-3'-methoxyacetophenone

5. Acetoguaiacone

6. Acetoguaiacon

7. Apocynine

8. 4-acetyl-2-methoxyphenol

9. Acetovanilone

10. Acetovanyllon

11. Ethanone, 1-(4-hydroxy-3-methoxyphenyl)-

12. 3-methoxy-4-hydroxyacetophenone

13. 4-hydroxy-3-methoxyacetophenone

14. Acetovanillon

15. 1-(4-hydroxy-3-methoxyphenyl)ethan-1-one

16. 4-hydroxy-3-methoxyphenyl Methyl Ketone

17. Acetophenone, 4'-hydroxy-3'-methoxy-

18. Nsc 209524

19. Unii-b6j7b9udtr

20. Einecs 207-854-5

21. Brn 0637373

22. 3-metoksy-4-hydroksyacetofenon

23. Ccris 7285

24. 2-methoxy-4-acetylphenol

25. B6j7b9udtr

26. 3-metoksy-4-hydroksyacetofenon [polish]

27. Ai3-15892

28. Chebi:2781

29. Dfyruelunqrztb-uhfffaoysa-n

30. Acetovanillone, 98%

31. 1-(4-hydroxy-3-methoxy-phenyl)ethanone

32. 1-(4-hydroxy-3-methoxy-phenyl)-ethanone

33. Wln: 1vr Dq Co1

34. 1-acetyl-4-hydroxy-3-methoxybenzene

35. 4-acetylguaiacol

36. Pubchem3315

37. Acetovanillone; Apocynin

38. Acmc-1ahlr

39. Apocynin (acetovanillone)

40. Bmse000584

41. Bmse010031

42. Ac1l1d6f

43. Ac1q7ad6

44. Aurora Ka-3667

45. Phenol, 4-acetyl-2-methoxy

46. 4-08-00-01814 (beilstein Handbook Reference)

47. Ksc236i5l

48. Mls001304972

49. Schembl109514

50. 4-hydroxy3-methoxyacetophenone

51. 4hydroxy-3-methoxyacetophenone

52. Acetovanillone, >=98%, Fg

53. Ac1q46a5

54. Chembl346919

55. Dtxsid7060097

56. Ctk1d6455

57. Ks-00000wmf

58. Timtec-bb Sbb008060

59. 4-hydroxy -3-methoxyacetophenone

60. Nsc2146

61. Molport-000-000-274

62. Acetovanillone, Analytical Standard

63. Hms3651h03

64. Zinc162515

65. 3'-methoxy-4'-hydroxyacetophenone

66. Hy-n0088

67. Nsc-2146

68. Str03975

69. Akos Bbs-00003229

70. Anw-30844

71. Bbl009710

72. Mfcd00008747

73. Nsc209524

74. S2425

75. Sbb008060

76. Stl141075

77. Zinc00162515

78. Akos000120562

79. 4-hydroxy-3-methoxyphenyl Methyl Keton

80. An-4876

81. As03910

82. Cm10957

83. Cs-5647

84. Db12618

85. Fs-3673

86. Mcule-4549346345

87. Nsc-209524

88. Rl03825

89. Rtr-033392

90. 1-(4-hydroxy-3-methoxyphenyl)-ethanone

91. Ncgc00247065-01

92. 4'-hydroxy-3'-methoxyacetophenone, 98%

93. 4cn-0663

94. Ac-29981

95. Aj-15916

96. Ak-42915

97. Cj-02042

98. Kb-47086

99. L911

100. Ls-13569

101. Sc-04834

102. Smr000752909

103. 1-(4-hydroxy-3-methoxyphenyl)-1-ethanone

104. Ab1003774

105. Tr-033392

106. Am20090774

107. Ft-0618638

108. St24030066

109. St50213415

110. Sw219526-1

111. C11380

112. M-6166

113. 21432-ep2311824a1

114. 21432-ep2314295a1

115. Aa-504/20839006

116. I01-7005

117. Q-200477

118. Acetophenone,4-hydroxy,3-methoxy Acetovanillon

119. F2191-0004

120. Inchi=1/c9h10o3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11h,1-2h

121. I75

2.4 Create Date
2004-09-16
3 Chemical and Physical Properties
Molecular Weight 166.176 g/mol
Molecular Formula C9H10O3
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass166.063 g/mol
Monoisotopic Mass166.063 g/mol
Topological Polar Surface Area46.5 A^2
Heavy Atom Count12
Formal Charge0
Complexity167
Isotope Atom Count0
Defined Atom Stereocenter Count0
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

Antioxidants

Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.


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.


Enzyme Inhibitors

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.


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