Please Wait
Applying Filters...
menu
    • menu
    Seqens is an integrated global leader in pharmaceutical solutions & specialty ingredients, & custom-made solutions to our customers.

    Virtual Booth

    Contact Supplier

    Inke S.A: APIs manufacturing plant.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2025-04-21

    Virtual Booth

    Contact Supplier

    AbbVie CDMO has been working with global companies to develop, manufacture & scale biopharmaceutical products.

    Virtual Booth

    Contact Supplier

    With Fermion, start the journey of your innovative API.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2025-04-14

    Virtual Booth

    Contact Supplier

    Menu

    Santonin

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: Alpha-santonin, 481-06-1, (-)-alpha-santonin, Semenen, Santoninum, Santoninic anhydride
    Molecular Formula
    C15H18O3
    Molecular Weight
    246.30  g/mol
    InChI Key
    XJHDMGJURBVLLE-BOCCBSBMSA-N
    FDA UNII
    1VL8J38ERO
    Anthelmintic isolated from the dried unexpanded flower heads of Artemisia maritima and other species of Artemisia found principally in Russian and Chinese Turkestan and the Southern Ural region. (From Merck, 11th ed.)
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione
    2.1.2 InChI
    InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13-,15-/m0/s1
    2.1.3 InChI Key
    XJHDMGJURBVLLE-BOCCBSBMSA-N
    2.1.4 Canonical SMILES
    CC1C2CCC3(C=CC(=O)C(=C3C2OC1=O)C)C
    2.1.5 Isomeric SMILES
    C[C@H]1[C@@H]2CC[C@]3(C=CC(=O)C(=C3[C@H]2OC1=O)C)C
    2.2 Other Identifiers
    2.2.1 UNII
    1VL8J38ERO
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Alpha-santonin

    2. 481-06-1

    3. (-)-alpha-santonin

    4. Semenen

    5. Santoninum

    6. Santoninic Anhydride

    7. (-)-santonine

    8. (-)-santonin

    9. Nsc4900

    10. Nsc-4900

    11. 1vl8j38ero

    12. Chebi:16363

    13. .alpha.-santonin

    14. (3s,3as,5as,9bs)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3h-benzo[g][1]benzofuran-2,8-dione

    15. (3s,3as,5as,9bs)-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3h,4h)-dione

    16. Dsstox_cid_25312

    17. Dsstox_rid_80795

    18. Dsstox_gsid_45312

    19. Nsc 4900

    20. A-santonin

    21. L-.alpha.-santonin

    22. L-alpha-santonin

    23. (3s,3as,5as,9bs)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3h-benzo[g]benzofuran-2,8-dione

    24. Santonin [jan]

    25. Naphtho[1,2-b]furan-2,8(3h,4h)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, (3s,3as,5as,9bs)-

    26. (-)-.alpha.-santonin

    27. Santonin [jan:nf]

    28. Sr-01000635568

    29. Unii-1vl8j38ero

    30. Ncgc00016461-01

    31. Santonin (tn)

    32. (3s,3as,5as,9bs)-3a,5,5a,9b-tetrahydro-3,5a,9-trimethylnaphtho(1,2-b)furan-2,8(3h,4h)-dione

    33. (3s,3as,5as,9bs)-3a,5,5a,9b-tetrahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3h,4h)-dione

    34. Cas-481-06-1

    35. Naphtho(1,2-b)furan-2,8(3h,4h)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, (3s,3as,5as,9bs)-

    36. ()-alpha-santonin

    37. Einecs 207-560-7

    38. Mfcd00135865

    39. Nsc 41311

    40. Santonine

    41. Santonin (jp17)

    42. Spectrum_000790

    43. Specplus_000318

    44. Ai3-19471

    45. (-)- Alpha -santonin

    46. Prestwick0_001070

    47. Prestwick1_001070

    48. Prestwick2_001070

    49. Prestwick3_001070

    50. Spectrum2_000699

    51. Spectrum3_001245

    52. Spectrum4_001476

    53. Spectrum5_000151

    54. Santoninum [hpus]

    55. Santonin [mart.]

    56. Santonin [who-dd]

    57. Upcmld-dp084

    58. (3s,5as,9bs)-3a,5,5a,9b-tetrahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3h,4h)dione

    59. Bspbio_001060

    60. Bspbio_002750

    61. Kbiogr_002051

    62. Kbioss_001270

    63. Spectrum300542

    64. Mls002154141

    65. Divk1c_006414

    66. Spbio_000857

    67. Spbio_002970

    68. Alpha-santonin; (-)-santonin

    69. Bpbio1_001166

    70. Chembl259254

    71. Megxp0_001636

    72. Schembl1133565

    73. .alpha.-santonin [mi]

    74. Dtxsid7045312

    75. Upcmld-dp084:001

    76. Kbio1_001358

    77. Kbio2_001270

    78. Kbio2_003838

    79. Kbio2_006406

    80. Kbio3_002250

    81. (-)-alpha-santonin, >=99%

    82. Hms1571e22

    83. Hms2098e22

    84. Hms2268h12

    85. Hy-b1761

    86. Zinc3881689

    87. Tox21_110445

    88. Ccg-40021

    89. S3999

    90. 11-epiisoeusantona-1,4-dienic Acid, 6alpha-hydroxy-3-oxo-, Gamma-lactone

    91. Akos015895177

    92. Tox21_110445_1

    93. Lmpr0103190001

    94. Sdccgmls-0066491.p001

    95. (3s)-2,3,3a,4,5,5a,8,9bbeta-octahydro-3,5abeta,9-trimethylnaphtho(1,2-b)furan-2,8-dion

    96. Eudesma-1,4-dien-12-oic Acid, 6-alpha-hydroxy-3-oxo-, Gamma-lactone, (11s)-(-)-

    97. Naphtho(1,2-b)puran-2,8(3h,4h)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-

    98. (-)-alpha-santonin, Analytical Standard

    99. Ncgc00161640-01

    100. Ncgc00161640-02

    101. Ncgc00161640-03

    102. Ncgc00263447-01

    103. Smr000112520

    104. Ab00376930

    105. Cs-0013789

    106. S0521

    107. C02206

    108. D00154

    109. Wln: T B566 Cov Lv Ihtt&j E1 I1 M1

    110. A827469

    111. Q413166

    112. Sr-01000635568-1

    113. Sr-01000635568-4

    114. Sr-01000635568-5

    115. Brd-k58787433-001-05-4

    116. Brd-k58787433-001-08-8

    117. Brd-k58787433-001-12-0

    118. Santonin, European Pharmacopoeia (ep) Reference Standard

    119. 11-epiisoeusantona-1, 6.alpha.-hydroxy-3-oxo-, .gamma.-lactone

    120. 3-(6-nitro-2-oxo-1,3-benzoxazol-3(2h)-yl)propanoicacid

    121. Eudesma-1, 6.alpha.-hydroxy-3-oxo-, .gamma.-lactone, (11s)-

    122. (11s)-6alpha-hydroxy-3-oxoeudesma-1,4-dien-12-oic Acid Gamma-lactone

    123. 6alpha-hydroxy-3-oxo-11-epiisoeusantona-1,4-dienic Acid Gamma-lactone

    124. Eudesma-1, 6.alpha.-hydroxy-3-oxo-, .gamma.-lactone, (11s)-(-)-

    125. Naphtho[1,8(3h,4h)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-

    126. 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-naphtho[1,2-b]puran-2,8(3h,4h)-dione

    127. Eudesma-1,4-dien-12-oic Acid, 6-alpha-hydroxy-3-oxo-, Gamma-lactone, (11s)-

    128. (3s,3as,5as)-3,5a,9-trimethyl-3a,4,5,5a-tetrahydronaphtho(1,2-b)furan-2,8(3h,9bh)-dione

    129. (3s,3as,5as,9bs)-2,3,3a,4,5,5a,8,9b-octahydro-3,5a,9-trimethylnaphtho(1,2-b)furan-2,8-dione

    130. (3s,3as,5as,9bs)-3,5a,9-trimethyl-3a,4,5,5a-tetrahydronaphtho[1,2-b]furan-2,8(3h,9bh)-dione

    131. 1,3,4,4a,7-hexahydro-1-hydroxy-.alpha., 4a,8-trimethyl-7-oxo-2-naphthaleneacetic Acid .gamma.-lactone

    132. Naphtho[1,8(3h,4h)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, [3s-(3.alpha.,3a.alpha.,5a.beta.,9b.beta.)]-

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 246.30 g/mol
    Molecular Formula C15H18O3
    XLogP32.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass246.125594432 g/mol
    Monoisotopic Mass246.125594432 g/mol
    Topological Polar Surface Area43.4 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity500
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    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

    Antinematodal Agents

    Substances used in the treatment or control of nematode infestations. They are used also in veterinary practice. (See all compounds classified as Antinematodal Agents.)