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    Trestolone Acetate

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 6157-87-5, Orgasteron acetate, Trestolone acetate [usan], U-15,614, 52xdf4n1xl, U-15614
    Molecular Formula
    C21H30O3
    Molecular Weight
    330.5  g/mol
    InChI Key
    IVCRCPJOLWECJU-XQVQQVTHSA-N
    FDA UNII
    52XDF4N1XL
    Trestolone acetate is a synthetic and injected anabolicandrogenic steroid (AAS) and a derivative of nandrolone (19-nortestosterone) which was never marketed. It is an androgen ester specifically, the C17 acetate ester of [DB05830].
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(7R,8R,9S,10R,13S,14S,17S)-7,13-dimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
    2.1.2 InChI
    InChI=1S/C21H30O3/c1-12-10-14-11-15(23)4-5-16(14)17-8-9-21(3)18(20(12)17)6-7-19(21)24-13(2)22/h11-12,16-20H,4-10H2,1-3H3/t12-,16+,17-,18+,19+,20-,21+/m1/s1
    2.1.3 InChI Key
    IVCRCPJOLWECJU-XQVQQVTHSA-N
    2.1.4 Canonical SMILES
    CC1CC2=CC(=O)CCC2C3C1C4CCC(C4(CC3)C)OC(=O)C
    2.1.5 Isomeric SMILES
    C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@@H]3[C@@H]1[C@@H]4CC[C@@H]([C@]4(CC3)C)OC(=O)C
    2.2 Other Identifiers
    2.2.1 UNII
    52XDF4N1XL
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 17 Beta-hydroxy-7 Alpha-methylestr-4-en-3-one Acetate

    2. 7 Alpha-methyl-19-nortestosterone Acetate

    3. U 15614

    4. U-15,614

    2.3.2 Depositor-Supplied Synonyms

    1. 6157-87-5

    2. Orgasteron Acetate

    3. Trestolone Acetate [usan]

    4. U-15,614

    5. 52xdf4n1xl

    6. U-15614

    7. 17beta-hydroxy-7alpha-methylestr-4-en-3-one Acetate

    8. Nsc-69948

    9. Trestolone Acetate (usan)

    10. Cdb 903

    11. Nsc 69948

    12. Unii-52xdf4n1xl

    13. 17.beta.-hydroxy-7.alpha.-methylestr-4-en-3-one Acetate

    14. 7.alpha.-methyl-19-nortestosterone Acetate

    15. Ment Acetate

    16. 19-nortestosterone, 7alpha-methyl-, Acetate

    17. Chembl452329

    18. Schembl2787569

    19. Estr-4-en-3-one, 17-(acetyloxy)-7-methyl-, (7.alpha.,17.beta.)-

    20. Cdb-903

    21. Dtxsid80977160

    22. Db13958

    23. 7alpha-methyl-19-nortestosterone Acetate

    24. D06214

    25. 7alpha-methyl-19-nortestosterone 17beta-acetate

    26. Q27261025

    27. Estr-4-en-3-one, 17beta-hydroxy-7alpha-methyl-, Acetate

    28. Estr-4-en-3-one, 17-(acetyloxy)-7-methyl-, (7alpha,17beta)-

    29. [(7r,8r,9s,10r,13s,14s,17s)-7,13-dimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl] Acetate

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 330.5 g/mol
    Molecular Formula C21H30O3
    XLogP33.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass330.21949481 g/mol
    Monoisotopic Mass330.21949481 g/mol
    Topological Polar Surface Area43.4 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity592
    Isotope Atom Count0
    Defined Atom Stereocenter Count7
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1