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    Allopregnanolone

    ACTIVE PHARMA INGREDIENTS

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    DIGITAL CONTENT

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    2D Structure
    Also known as: Eltanolone, 128-20-1, 3alpha-hydroxy-5beta-pregnan-20-one, Pregnan-3alpha-ol-20-one, Pregnanolone ii, Eltanolona
    Molecular Formula
    C21H34O2
    Molecular Weight
    318.5  g/mol
    InChI Key
    AURFZBICLPNKBZ-YZRLXODZSA-N
    FDA UNII
    BXO86P3XXW
    A pregnane found in the urine of pregnant women and sows. It has anesthetic, hypnotic, and sedative properties.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
    2.1.2 InChI
    InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16+,17-,18+,19+,20+,21-/m1/s1
    2.1.3 InChI Key
    AURFZBICLPNKBZ-YZRLXODZSA-N
    2.1.4 Canonical SMILES
    CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C
    2.1.5 Isomeric SMILES
    CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C
    2.2 Other Identifiers
    2.2.1 UNII
    BXO86P3XXW
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3 Alpha Hydroxy 5 Alpha Pregnan 20 One

    2. 3 Alpha Hydroxy 5 Beta Pregnan 20 One

    3. 3 Alpha, 5 Beta Tetrahydroprogesterone

    4. 3 Alpha, 5 Beta-tetrahydroprogesterone

    5. 3 Alpha-hydroxy-5 Alpha-pregnan-20-one

    6. 3 Alpha-hydroxy-5 Beta-pregnan-20-one

    7. 3 Hydroxypregnan 20 One

    8. 3-hydroxypregnan-20-one

    9. 3beta Hydroxy 5alpha Pregnan 20 One

    10. 3beta-hydroxy-5alpha-pregnan-20-one

    11. Allopregnan 3 Beta Ol 20 One

    12. Allopregnan-3 Beta-ol-20-one

    13. Allopregnanolone

    14. Alpha-hydroxy-5 Alpha-pregnan-20-one, 3

    15. Alpha-hydroxy-5 Beta-pregnan-20-one, 3

    16. Alpha-pregnan-20-one, 3 Alpha-hydroxy-5

    17. Beta-ol-20-one, Allopregnan-3

    18. Beta-pregnan-20-one, 3 Alpha-hydroxy-5

    19. Eltanolone

    20. Epipregnanolone

    21. Pregnan 3alpha Ol 20 One

    22. Pregnan-3alpha-ol-20-one

    23. Pregnanolone, (3alpha)-isomer

    24. Pregnanolone, (3alpha, 5beta, 17-alpha)-isomer

    25. Pregnanolone, (3alpha,5alpha)-isomer

    26. Pregnanolone, (3alpha,5beta)-isomer

    27. Pregnanolone, (3beta)-isomer

    28. Pregnanolone, (3beta, 5alpha)-isomer

    29. Pregnanolone, (3beta, 5alpha, 17alpha)-isomer

    30. Pregnanolone, (3beta, 5alpha, 8alpha, 17beta)-isomer

    31. Pregnanolone, (3beta, 5beta)-isomer

    32. Pregnanolone, (3beta, 5beta, 17alpha)-isomer

    33. Pregnanolone, (3beta, 5beta,14beta)-isomer

    34. Pregnanolone, (5alpha)-isomer

    35. Sepranolone

    2.3.2 Depositor-Supplied Synonyms

    1. Eltanolone

    2. 128-20-1

    3. 3alpha-hydroxy-5beta-pregnan-20-one

    4. Pregnan-3alpha-ol-20-one

    5. Pregnanolone Ii

    6. Eltanolona

    7. Eltanolonum

    8. Eltanolone [inn]

    9. Skf 6455

    10. Allopregnanolone

    11. Nsc 82867

    12. 5beta-pregnan-3alpha-ol-20-one

    13. (3alpha,5beta)-3-hydroxypregnan-20-one

    14. Kabi 2213

    15. Kabi-2213

    16. 3alpha-hydroxy-5beta-pregnane-20-one

    17. Pregnan-20-one, 3-hydroxy-, (3alpha,5beta)-

    18. Pregnan-3.alpha.-ol-20-one

    19. Nsc-82867

    20. Bxo86p3xxw

    21. 3.alpha.-hydroxy-5.beta.-pregnan-20-one

    22. Chebi:1712

    23. 5.beta.-pregnan-20-one, 3.alpha.-hydroxy-

    24. Skf-6455

    25. 1-[(3r,5r,8r,9s,10s,13s,14s,17s)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone

    26. 3.alpha.,5.beta.-epimeric Pregnanolone

    27. 3.alpha.-hydroxy-5.beta.-tetrahydroprogesterone

    28. Pregnan-20-one, 3-hydroxy-, (3.alpha.,5.beta.)-

    29. Eltanolonum [inn-latin]

    30. Eltanolona [inn-spanish]

    31. 1-((3r,5r,8r,9s,10s,13s,14s,17s)-3-hydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)ethan-1-one

    32. Allopregnan-3 Beta-ol-20-one

    33. 3alpha-hydroxy-5beta-tetrahydroprogesterone

    34. 3alpha,5beta-epimeric Pregnanolone

    35. Pregnan-3a-ol-20-one

    36. Mls002694512

    37. Unii-bxo86p3xxw

    38. Pregnanolone, (3alpha,5beta)-isomer

    39. 3 Hydroxypregnan 20 One

    40. Pregnan 3alpha Ol 20 One

    41. 3 Alpha, 5 Beta-tetrahydroprogesterone

    42. Brn 4785659

    43. 3 Alpha-hydroxy-5 Beta-pregnan-20-one

    44. 3-alpha-hydroxy-5-beta-pregnan-20-one

    45. 3 Alpha-hydroxy-5 Alpha-pregnan-20-one

    46. Pregnanolone, (3beta)-isomer

    47. Pregnanolone, (3alpha)-isomer

    48. Pregnanolone, (5alpha)-isomer

    49. Allopregnan 3 Beta Ol 20 One

    50. Beta-ol-20-one, Allopregnan-3

    51. (3?,5?)-3-hydroxy-pregnan-20-one

    52. 3alpha,5beta-thp

    53. 3beta Hydroxy 5alpha Pregnan 20 One

    54. Pregnanolone, (3alpha,5alpha)-isomer

    55. Pregnanolone, (3beta, 5beta)-isomer

    56. Pregnanolone, (3beta, 5alpha)-isomer

    57. 3 Alpha, 5 Beta Tetrahydroprogesterone

    58. Wln: L E5 B666tj A1 E1 Fv1 Oq

    59. 3 Alpha Hydroxy 5 Beta Pregnan 20 One

    60. 5beta-pregnan-20-one, 3alpha-hydroxy-

    61. 3 Alpha Hydroxy 5 Alpha Pregnan 20 One

    62. Alpha-hydroxy-5 Beta-pregnan-20-one, 3

    63. Beta-pregnan-20-one, 3 Alpha-hydroxy-5

    64. 5-beta-pregnan-20-one, 3-alpha-hydroxy-

    65. Alpha-hydroxy-5 Alpha-pregnan-20-one, 3

    66. Alpha-pregnan-20-one, 3 Alpha-hydroxy-5

    67. Kabi2213

    68. Pregnan-20-one, 3-hydroxy-, (3a,5b)-

    69. Pregnanolone, (3beta, 5beta,14beta)-isomer

    70. Pregnanolone, (3beta, 5beta, 17alpha)-isomer

    71. Eltanolone [mart.]

    72. Pregnanolone, (3beta, 5alpha, 17alpha)-isomer

    73. Pregnanolone, (3alpha, 5beta, 17-alpha)-isomer

    74. Schembl56664

    75. 3-hydroxy-5-pregnan-20-one

    76. 5?-pregnan-3?-ol-20-one

    77. Chembl210952

    78. 3.alpha.,5.beta.-pregnanolone

    79. 3a-hydroxy-5b-pregnan-20-one

    80. Dtxsid1046342

    81. Pregnanolone, (3beta, 5alpha, 8alpha, 17beta)-isomer

    82. Gtpl11534

    83. Skf6455

    84. 3alpha,5beta-tetrahydroprogesterone

    85. Nsc82867

    86. Zinc3800039

    87. (3a,5b)-3-hydroxypregnan-20-one

    88. Lmst02030175

    89. Db12308

    90. 5 Beta -pregnan-3 Alpha -ol-20-one

    91. 5.beta.-pregnan-3.alpha.-ol-20-one

    92. Pregnan-20-one, (3.alpha.,5.beta.)-

    93. (3alpha,5beta)-3-hydroxy-pregnan-20-one

    94. Pregnan-3.alpha.-ol-20-one [mi]

    95. B7455

    96. C05480

    97. 128p201

    98. 3-hydroxypregnan-20-one, (3.alpha.,5.beta.)-

    99. J-005571

    100. Q18344323

    101. 1-((3r,5r,8r,9s,10s,13s,14s,17s)-3-hydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)ethanone

    102. 110350-90-8

    103. P9n

    2.4 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 318.5 g/mol
    Molecular Formula C21H34O2
    XLogP34.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass318.255880323 g/mol
    Monoisotopic Mass318.255880323 g/mol
    Topological Polar Surface Area37.3 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity500
    Isotope Atom Count0
    Defined Atom Stereocenter Count8
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    Treatment of postpartum depression

    5 Pharmacology and Biochemistry
    5.1 MeSH Pharmacological Classification

    Anesthetics

    Agents capable of inducing a total or partial loss of sensation, especially tactile sensation and pain. They may act to induce general ANESTHESIA, in which an unconscious state is achieved, or may act locally to induce numbness or lack of sensation at a targeted site. (See all compounds classified as Anesthetics.)