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    Methyltrienolone

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Metribolone, 965-93-5, R1881, 17alpha-methyltrienolone, Metribolona, Metribolonum
    Molecular Formula
    C19H24O2
    Molecular Weight
    284.4  g/mol
    InChI Key
    CCCIJQPRIXGQOE-XWSJACJDSA-N
    FDA UNII
    2C323EGI97
    A synthetic non-aromatizable androgen and anabolic steroid. It binds strongly to the androgen receptor and has therefore also been used as an affinity label for this receptor in the prostate and in prostatic tumors.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (8S,13S,14S,17S)-17-hydroxy-13,17-dimethyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
    2.1.2 InChI
    InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1
    2.1.3 InChI Key
    CCCIJQPRIXGQOE-XWSJACJDSA-N
    2.1.4 Canonical SMILES
    CC1(CCC2C1(C=CC3=C4CCC(=O)C=C4CCC23)C)O
    2.1.5 Isomeric SMILES
    C[C@@]1(CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)C)O
    2.2 Other Identifiers
    2.2.1 UNII
    2C323EGI97
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 17 Beta-hydroxy-17 Alpha-methylestra-4,9,11-trien-3-one

    2. Metribolone

    3. R 1881

    4. R-1881

    5. R1881

    6. Ru 1881

    7. Ru-1881

    8. Ru1881

    2.3.2 Depositor-Supplied Synonyms

    1. Metribolone

    2. 965-93-5

    3. R1881

    4. 17alpha-methyltrienolone

    5. Metribolona

    6. Metribolonum

    7. R 1881

    8. Ru 1881

    9. 17-beta-hydroxy-17-methylestra-4,9,11-trien-3-one

    10. R-1881

    11. (17beta)-17-hydroxy-17-methylestra-4,9,11-trien-3-one

    12. 17beta-hydroxy-17-methylestra-4,9,11-trien-3-one

    13. Nsc-92858

    14. R1881 (synthetic Androgen)

    15. Chebi:379896

    16. 2c323egi97

    17. Estra-4,9,11-trien-3-one, 17-hydroxy-17-methyl-, (17b)-

    18. Estra-4,9,11-trien-3-one, 17-hydroxy-17-methyl-, (17beta)-

    19. 17-methyloestra-4,9,11-trien-3-one,17beta-ol

    20. (8s,13s,14s,17s)-17-hydroxy-13,17-dimethyl-1,2,6,7,8,13,14,15,16,17-decahydro-3h-cyclopenta[a]phenanthren-3-one

    21. (8s,13s,14s,17s)-17-hydroxy-13,17-dimethyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one

    22. Ru-1881

    23. [3h]methyltrienolone

    24. Mls002695156

    25. Metribolone [inn:dcf]

    26. Metribolonum [inn-latin]

    27. Metribolona [inn-spanish]

    28. Unii-2c323egi97

    29. Methyl Trienolone

    30. 1xow

    31. Nsc 92858

    32. 1e3g

    33. 2ao6

    34. [3h]r1881

    35. Metribolone [inn]

    36. [3h]-r1881

    37. 17.alpha.-methyltrienolone

    38. Metribolone [mart.]

    39. 17-.alpha.-methyltrienolone

    40. Methyltrienolone [mi]

    41. Metribolone [who-dd]

    42. Schembl114862

    43. Chembl166444

    44. Gtpl2857

    45. Gtpl3457

    46. Dtxsid8034162

    47. Nsc92858

    48. Zinc3814420

    49. Bdbm50367916

    50. Akos015840270

    51. Db02998

    52. Ac-32028

    53. R1881, >=98% (hplc)

    54. 965m935

    55. A845615

    56. Q3333717

    57. 17-.beta.-hydroxy-17-methylestra-4,11-trien-3-one

    58. 17alpha-methyl-3-oxo-4,9,11-estratrien-17beta-ol

    59. 17alpha-methyl-4,9,11,estratrien-17beta-ol-3-one

    60. 3-oxo-17beta-hydroxy-17-methylestra-4,9,11-triene

    61. 17alpha-methyl-17beta-hydroxyestr-4,9,11-trien-3-one

    62. 17alpha-methyl-17beta-hydroxyestra-4,9,11-trien-3-one

    63. Estra-4,11-trien-3-one, 17.beta.-hydroxy-17-methyl-

    64. Estra-4,9,11-trien-3-one, 17beta-hydroxy-17-methyl-

    65. 17alpha-methyl-17beta-hydroxy-estra-4,9,11-trien-3-one

    66. 3-oxo-17beta-hydroxy-17alpha-methylestra-4,9,11-triene

    67. (17beta)-17-hydroxy-17-methyl-estra-4,9,11-triene-3-one

    68. 17-beta-hydroxy-17-methylestra-4,9,11-trien-3-one (9ci)

    69. 17.beta.-hydroxy-17-methylestra-4,9,11-trien-3-one

    70. 17alpha-methyl-17beta-hydroxyestra-4,9(10),11-trien-3-one

    71. Estra-4,9,11-trien-3-one, 17beta-hydroxy-17-methyl- (8ci)

    72. 17-beta-hydroxy-17-methyl-19-norandrosta-4,9,11-triene-3-one

    73. Estra-4,11-trien-3-one, 17-hydroxy-17-methyl-, (17.beta.)-

    74. Estra-4,9,11-trien-3-one, 17beta-hydroxy-17-methyl- (7ci,8ci)

    75. Estra-4,9,11-trien-3-one, 17-hydroxy-17-methyl-, (17beta)- (9ci)

    76. Methyltrienolone; 17beta-hydroxy-17methyl-19norandrosta-4,9,11-trien-3-one; R1881

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 284.4 g/mol
    Molecular Formula C19H24O2
    XLogP32.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass284.177630004 g/mol
    Monoisotopic Mass284.177630004 g/mol
    Topological Polar Surface Area37.3 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity609
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1