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    481-29-8

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 481-29-8, Trans-androsterone, Isoandrosterone, Iso-androsterone, 3beta-hydroxy-5alpha-androstan-17-one, 3beta-hydroxyetioallocholan-17-one
    Molecular Formula
    C19H30O2
    Molecular Weight
    290.4  g/mol
    InChI Key
    QGXBDMJGAMFCBF-LUJOEAJASA-N
    FDA UNII
    8TR252Z538
    A metabolite of TESTOSTERONE or ANDROSTENEDIONE with a 3-alpha-hydroxyl group and without the double bond. The 3-beta hydroxyl isomer is epiandrosterone.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3S,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
    2.1.2 InChI
    InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,18-,19-/m0/s1
    2.1.3 InChI Key
    QGXBDMJGAMFCBF-LUJOEAJASA-N
    2.1.4 Canonical SMILES
    CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)O
    2.1.5 Isomeric SMILES
    C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O
    2.2 Other Identifiers
    2.2.1 UNII
    8TR252Z538
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3 Alpha Hydroxy 5 Alpha Androstan 17 One

    2. 3-alpha-hydroxy-5-alpha-androstan-17-one

    3. 5 Alpha Androstan 3 Alpha Ol 17 One

    4. 5 Alpha-androstan-3 Alpha-ol-17-one

    5. Androsterone

    2.3.2 Depositor-Supplied Synonyms

    1. 481-29-8

    2. Trans-androsterone

    3. Isoandrosterone

    4. Iso-androsterone

    5. 3beta-hydroxy-5alpha-androstan-17-one

    6. 3beta-hydroxyetioallocholan-17-one

    7. Androstan-17-one, 3-hydroxy-, (3b,5a)-

    8. Epi-andosterone

    9. (3beta,5alpha)-3-hydroxyandrostan-17-one

    10. 5alpha-androstan-3beta-ol-17-one

    11. D-epiandrosterone

    12. 3-epiandrosterone

    13. Androsterone, Epi-

    14. Chembl272195

    15. 3beta-hydroxy-androstan-17-one

    16. Chebi:541975

    17. Nsc 93996

    18. 8tr252z538

    19. (3s,5s,8r,9s,10s,13s,14s)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one

    20. 3b-androsterone

    21. Androsterone, Trans-

    22. Smr000718744

    23. 3.beta.-hydroxy-5.alpha.-androstan-17-one

    24. Androsterone, (3beta)-

    25. Nsc-93996

    26. Epia

    27. Unii-8tr252z538

    28. Aox

    29. Prestwick_699

    30. Einecs 207-563-3

    31. Mfcd00064134

    32. 3

    33. A-androsterone;epia

    34. St072176

    35. 3-beta-hydroxy-5-alpha-androstan-17-one

    36. Prestwick0_000440

    37. Prestwick1_000440

    38. Prestwick2_000440

    39. Prestwick3_000440

    40. Ec 207-563-3

    41. Epiandrosterone [mi]

    42. Bspbio_000460

    43. Mls000563092

    44. Mls001304190

    45. Mls001333976

    46. Mls001333977

    47. Mls002153812

    48. Schembl295167

    49. Spbio_002399

    50. Bpbio1_000506

    51. Dtxsid20289698

    52. Hms1569g22

    53. Hms2096g22

    54. Hms2235i04

    55. Hms3713g22

    56. Hms3884l18

    57. Act02601

    58. Epiandrosterone (3

    59. A-androsterone)

    60. Hy-i0352

    61. Zinc3861661

    62. Bbl030012

    63. Bdbm50236240

    64. Lmst02020023

    65. S2832

    66. Stk801866

    67. Akos001582886

    68. Ccg-220440

    69. Cs-5183

    70. Ncgc00142619-02

    71. Ncgc00142619-04

    72. (1s,2s,5s,7s,11s,15s,10r)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0<2,7>.0<11, 15>]heptadecan-14-one

    73. Ac-16141

    74. As-13045

    75. 5alpha-androstan-17-one, 3beta-hydroxy-

    76. (3beta, 5alpha)-androstan-3-ol- 17-one

    77. E0374

    78. Epiandrosterone 100 Microg/ml In Acetonitrile

    79. C07635

    80. D95819

    81. A827476

    82. Androstan-17-one, 3-hydroxy-, (3beta,5alpha)-

    83. Sr-01000837513

    84. Q5382412

    85. Sr-01000837513-2

    86. W-106055

    87. (3s,5s,8r,10s,13s)-3-hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-one

    88. (3s,5s,8r,9r,10s,13s,14s)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 290.4 g/mol
    Molecular Formula C19H30O2
    XLogP33.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass290.224580195 g/mol
    Monoisotopic Mass290.224580195 g/mol
    Topological Polar Surface Area37.3 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity459
    Isotope Atom Count0
    Defined Atom Stereocenter Count7
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1