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    Technical details about Prestwick3_000985, learn more about the structure, uses, toxicity, action, side effects and more

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    Prestwick3_000985

    APIs // Active Pharmaceutical Ingredients

    DOSSIERs // Finished Dosage Forms

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    PharmaCompass

    Phyton is a World Leader in Plant Cell Fermentation Technology and Commercial Manufacturing.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    Also known as: 83-46-5, Sitosterol, Cupreol, Azuprostat, 22,23-dihydrostigmasterol, Quebrachol
    Molecular Formula
    C29H50O
    Molecular Weight
    414.7  g/mol
    InChI Key
    KZJWDPNRJALLNS-VJSFXXLFSA-N
    FDA UNII
    S347WMO6M4
    sitosterol is a natural product found in Elodea canadensis, Ophiopogon intermedius, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
    2.1.2 InChI
    InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
    2.1.3 InChI Key
    KZJWDPNRJALLNS-VJSFXXLFSA-N
    2.1.4 Canonical SMILES
    CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
    2.1.5 Isomeric SMILES
    CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C
    2.2 Other Identifiers
    2.2.1 UNII
    S347WMO6M4
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 24-ethylcholest-5-en-3 Beta-ol

    2. 24-ethylcholesterol

    3. 3beta-sitosterol

    4. 3beta-stigmast-5-en-3-ol

    5. Clionasterol

    6. Gamma-sitosterol

    7. Harzol

    8. Sitosterol

    9. Sitosterol, (3beta)-isomer

    10. Sitosterol, (3beta,24xi)-isomer

    11. Sitosterol, 26-(14)c-labeled

    12. Stigmast-5-en-3-ol, (3beta,24s)-

    2.3.2 Depositor-Supplied Synonyms

    1. 83-46-5

    2. Sitosterol

    3. Cupreol

    4. Azuprostat

    5. 22,23-dihydrostigmasterol

    6. Quebrachol

    7. Triastonal

    8. Cinchol

    9. Harzol

    10. Rhamnol

    11. Beta-sitosterin

    12. Nimbosterol

    13. B-sitosterol

    14. (-)-beta-sitosterol

    15. Alpha-dihydrofucosterol

    16. Prostasal

    17. Sito-lande

    18. 24alpha-ethylcholesterol

    19. (24r)-ethylcholest-5-en-3beta-ol

    20. (3beta)-stigmast-5-en-3-ol

    21. Betaprost

    22. Sobatum

    23. Beta Sitosterol

    24. Alpha-phytosterol

    25. (24r)-stigmast-5-en-3beta-ol

    26. Angelicin (steroid)

    27. Skf 14463

    28. Beta-sistosterol

    29. Stigmast-5-en-3beta-ol

    30. A-dihydrofucosterol

    31. Phytosterol

    32. Chebi:27693

    33. Nsc8096

    34. Sitosterol, Beta

    35. Stigmast-5-en-3-ol, (3beta)-

    36. .alpha.-dihydrofucosterol

    37. Chembl221542

    38. S347wmo6m4

    39. .beta.-sitosterol

    40. Nsc-8096

    41. Nsc49083

    42. .alpha.-phytosterol

    43. Sitosterol, .beta.

    44. Nsc 18173

    45. Nsc-18173

    46. Nsc-49083

    47. Stigmasterol,23-dihydro-

    48. Steroids, Hydroxy

    49. Stigmasterol, 22,23-dihydro-

    50. Sitosterin

    51. .beta.-sitosterin

    52. Nsc 8096

    53. Sitosterol, Beta-

    54. Stigmast-5-en-3-ol, (3.beta.)-

    55. (3s,8s,9s,10r,13r,14s,17r)-17-[(2r,5r)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol

    56. 24.alpha.-ethylcholesterol

    57. Stigmast-5-en-3-ol, (3b)-

    58. Stigmast-5-en-3.beta.-ol

    59. Sr-05000002307

    60. 24-alpha-ethylcholesterol

    61. Stigmast-5-en-3-beta-ol

    62. Unii-s347wmo6m4

    63. Delta5-stigmasten-3-beta-ol

    64. Sitosterol Beta

    65. A-phytosterol

    66. B-sitosterin

    67. Beta-phytosterol

    68. Ccris 5529

    69. Ss--sitosterol

    70. .beta.sitosterin

    71. .beta.sitosterol

    72. Beta -sitosterol

    73. (3-beta)-stigmast-5-en-3-ol

    74. Cas-83-46-5

    75. Ncgc00095716-01

    76. (3s,8s,9s,10r,13r,14s,17r)-17-((2r,5r)-5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-ol

    77. (3s,8s,9s,10r,13r,14s,17r)-17-[(1r,4r)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol

    78. Einecs 201-480-6

    79. (-)-b-sitosterol

    80. Harzol (tn)

    81. Mfcd00003631

    82. 24a-ethylcholesterol

    83. Alpha.dihydrofucosterol

    84. D5-stigmasten-3b-ol

    85. Stigmast-5-en-3b-ol

    86. Ai3-26020

    87. Prestwick0_000985

    88. Prestwick1_000985

    89. Prestwick2_000985

    90. Prestwick3_000985

    91. Delta5-stigmasten-3b-ol

    92. Stigmast-5-ene-3beta-ol

    93. Dsstox_cid_2481

    94. Beta-sitosterol, >=70%

    95. Sitosterol [mart.]

    96. Beta-sitosterol (synthetic)

    97. Dsstox_rid_76601

    98. Sitosterol [who-dd]

    99. Bidd:pxr0121

    100. Dsstox_gsid_22481

    101. Schembl16105

    102. 22,23-dihydro-stigmasterol

    103. Bspbio_001049

    104. Bidd:er0636

    105. Spbio_002950

    106. Beta-sitosterol [inci]

    107. Bpbio1_001155

    108. Megxp0_001710

    109. Beta Sitosterol [vandf]

    110. .beta.-sitosterol [mi]

    111. Dtxsid5022481

    112. (24r)-stigmast-5-en-3b-ol

    113. Acon1_000287

    114. Beta-sitosterol [usp-rs]

    115. Chebi:176889

    116. Hms1571e11

    117. Hms2098e11

    118. (24r)-ethylcholest-5-en-3b-ol

    119. 24-ethylcholest-5-en-3.beta.-ol

    120. Nsc18173

    121. Zinc4095717

    122. Beta-sitosterol, Analytical Standard

    123. Tox21_111514

    124. Bdbm50218197

    125. Beta-sitosterol, Synthetic, >=95%

    126. Lmst01040129

    127. S2273

    128. Akos005267194

    129. Ccg-208334

    130. Db14038

    131. Beta-sitosterol, From Soybean, >=96%

    132. Smp1_000274

    133. Ncgc00142598-02

    134. Ncgc00142598-03

    135. (3.beta.)-stigmast-5-en-3-ol

    136. 14-((1s,4r)-4-ethyl-1,5-dimethylhexyl)(1s,5s,10s,11s,2r,14r,15r)-2,15-dimethyl Tetracyclo[8.7.0.0<2,7>.0<11,15>]heptadec-7-en-5-ol

    137. Ac-24183

    138. Nci60_041777

    139. Ab00513984

    140. N1688

    141. S0040

    142. .delta.(sup 5)-stigmasten-3.beta.-ol

    143. C01753

    144. D08518

    145. A840577

    146. Alpha-dihydrofucosterol, 22,23-dihydrostigmasterol

    147. Q-200712

    148. Sr-05000002307-2

    149. Sr-05000002307-3

    150. Q63409374

    151. .beta.-sitosterol (constituent Of Pygeum) [dsc]

    152. Beta-sitosterol (constituent Of Saw Palmetto) [dsc]

    153. Beta-sitosterol, Analytical Standard, From Soybean, >=40%

    154. Beta-sitosterol, Primary Pharmaceutical Reference Standard

    155. 24.beta.-ethyl-.delta.(sup 5)-cholesten-3.beta.-ol

    156. Beta-sitosterol (constituent Of Stinging Nettle) [dsc]

    157. Beta-sitosterol, European Pharmacopoeia (ep) Reference Standard

    158. Beta-sitosterol, United States Pharmacopeia (usp) Reference Standard

    159. Beta-sitosterol, Certified Reference Material, 100 Mug/ml In Chloroform

    160. (3s,9s,10r,13r,14s,17r)-17-((2r,5r)-5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-ol

    161. .beta.-sitosterol (constituent Of Echinacea Angustifolia Root, Echinacea Pallida Root, Echinacea Purpurea Root And Echinacea Purpurea Aerial Parts) [dsc]

    162. 17-(5-ethyl-6-methyl-heptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol

    163. 76772-70-8

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 414.7 g/mol
    Molecular Formula C29H50O
    XLogP39.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count6
    Exact Mass414.386166214 g/mol
    Monoisotopic Mass414.386166214 g/mol
    Topological Polar Surface Area20.2 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity634
    Isotope Atom Count0
    Defined Atom Stereocenter Count9
    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

    Hypolipidemic Agents

    Substances that lower the levels of certain LIPIDS in the BLOOD. They are used to treat HYPERLIPIDEMIAS. (See all compounds classified as Hypolipidemic Agents.)

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