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    Guaiazulene

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 489-84-9, 1,4-dimethyl-7-isopropylazulene, Vetivazulen, 7-isopropyl-1,4-dimethylazulene, Azulon, Kessazulen
    Molecular Formula
    C15H18
    Molecular Weight
    198.30  g/mol
    InChI Key
    FWKQNCXZGNBPFD-UHFFFAOYSA-N
    FDA UNII
    2OZ1K9JKQC
    azulon is a natural product found in Mikania cordifolia, Santolina corsica, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1,4-dimethyl-7-propan-2-ylazulene
    2.1.2 InChI
    InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3
    2.1.3 InChI Key
    FWKQNCXZGNBPFD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C
    2.2 Other Identifiers
    2.2.1 UNII
    2OZ1K9JKQC
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Azulon

    2. Guajazulene

    2.3.2 Depositor-Supplied Synonyms

    1. 489-84-9

    2. 1,4-dimethyl-7-isopropylazulene

    3. Vetivazulen

    4. 7-isopropyl-1,4-dimethylazulene

    5. Azulon

    6. Kessazulen

    7. Purazulen

    8. Silazulon

    9. Uroazulen

    10. Azunol

    11. S-guaiazulene

    12. Eucazulen

    13. Guajazulene

    14. Guiazulene

    15. Cuteazul

    16. Gurjunazulen

    17. Azulen-beris

    18. Guaiazulen

    19. 3,8-dimethyl-5-(2-propyl)azulene

    20. Azulene, 1,4-dimethyl-7-(1-methylethyl)-

    21. Vaumigan

    22. 1,4-dimethyl-7-propan-2-ylazulene

    23. 1,4-dimethyl-7-(1-methylethyl)azulene

    24. Azulol

    25. 1,4-dimethyl-7-(propan-2-yl)azulene

    26. Eucazulene

    27. Hepatoprotectant

    28. Nsc 4714

    29. Azulene, 7-isopropyl-1,4-dimethyl-

    30. Az-8 Beris

    31. Azunol (tn)

    32. 7-isopropyl-1,4-dimethyl-azulene

    33. Azulene, 1,4-dimethyl-7-isopropyl-

    34. Nsc-4714

    35. 2oz1k9jkqc

    36. 1,3,5,7,9-guaiapentaene

    37. Chebi:5550

    38. 1,4-dimethyl-7-isopropyl-azulene

    39. 1,4-dimethyl-7-isopropylazulene (jan)

    40. Ncgc00095836-02

    41. Dsstox_cid_25996

    42. Dsstox_rid_81279

    43. Dsstox_gsid_45996

    44. Cas-489-84-9

    45. 1,4-dimethyl-7-isopropylazulene [jan]

    46. 7-isopropyl- 1,4-dimethylazulene

    47. Einecs 207-701-2

    48. Unii-2oz1k9jkqc

    49. Brn 1365001

    50. Guajazulen

    51. Kessazulene

    52. S-kessazulene

    53. Guaiazulene, 99%

    54. Mfcd00003811

    55. Azulene,4-dimethyl-

    56. Spectrum_001198

    57. Guaiazulene [mi]

    58. Spectrum2_001089

    59. Spectrum3_001537

    60. Spectrum4_000762

    61. Spectrum5_001090

    62. Guaiazulene [inci]

    63. Guaiazulene [mart.]

    64. Bspbio_002954

    65. Guaiazulene [who-dd]

    66. Kbiogr_001144

    67. Kbioss_001678

    68. 4-05-00-01751 (beilstein Handbook Reference)

    69. Mls002207286

    70. Divk1c_001006

    71. Spectrum1502249

    72. Spbio_001138

    73. Az-8

    74. 1,4-dimethyl-7-isopropylazulen

    75. Chembl1408759

    76. Dtxsid7045996

    77. Hms503i13

    78. Kbio1_001006

    79. Kbio2_001678

    80. Kbio2_004246

    81. Kbio2_006814

    82. Kbio3_002454

    83. Azulene,4-dimethyl-7-isopropyl-

    84. Nsc4714

    85. Ninds_001006

    86. 1, 4-dimethyl-7-isopropylazulene

    87. Zinc968478

    88. Hy-n6951

    89. Tox21_111526

    90. Bbl027440

    91. Ccg-40099

    92. S3995

    93. Stk801958

    94. Akos001082716

    95. Tox21_111526_1

    96. Db13329

    97. Lmpr0103410006

    98. Sdccgmls-0066686.p001

    99. Wln: L57j B1 F1 Iy1&1

    100. Idi1_001006

    101. Azulene,4-dimethyl-7-(1-methylethyl)-

    102. Ncgc00095836-01

    103. Ncgc00095836-03

    104. Ncgc00095836-05

    105. Ncgc00178373-01

    106. 1,4-dimethyl-7-(1-methylethyl)-azulene

    107. As-13972

    108. Smr001306801

    109. Db-051592

    110. Azulene, 7-isopropyl-1,4-dimethyl- (8ci)

    111. Cs-0021588

    112. Ft-0626818

    113. G0228

    114. 7-isopropyl-1,4-dimethyl-azulene;guaiazulene

    115. 1,4-dimethyl-7-(1-methyl)-azulene (azulon)

    116. 1,4-dimethyl-7-(1-methylethyl)azulene, 9ci

    117. C09675

    118. D01037

    119. A827639

    120. Sr-05000002441

    121. Guaiazulene (constituent Of Chamomile) [dsc]

    122. Q3026266

    123. Sr-05000002441-1

    124. Brd-k36719159-001-04-9

    125. Z56347227

    2.4 Create Date
    2005-03-25
    3 Chemical and Physical Properties
    Molecular Weight 198.30 g/mol
    Molecular Formula C15H18
    XLogP34.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count0
    Rotatable Bond Count1
    Exact Mass198.140850574 g/mol
    Monoisotopic Mass198.140850574 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity206
    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 ATC Code

    S - Sensory organs

    S01 - Ophthalmologicals

    S01X - Other ophthalmologicals

    S01XA - Other ophthalmologicals

    S01XA01 - Guaiazulen