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    Testosterone Dodecanoate

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    PharmaCompass
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    2D Structure
    Also known as: Testosterone dodecanoate, Oe4q4w32jk, 59232-78-9, [(8r,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] dodecanoate, Unii-oe4q4w32jk, Schembl5078095
    Molecular Formula
    C31H50O3
    Molecular Weight
    470.7  g/mol
    InChI Key
    KTROUBQZLCALOQ-DQUDHZTESA-N
    FDA UNII
    OE4Q4W32JK
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] dodecanoate
    2.1.2 InChI
    InChI=1S/C31H50O3/c1-4-5-6-7-8-9-10-11-12-13-29(33)34-28-17-16-26-25-15-14-23-22-24(32)18-20-30(23,2)27(25)19-21-31(26,28)3/h22,25-28H,4-21H2,1-3H3/t25-,26-,27-,28-,30-,31-/m0/s1
    2.1.3 InChI Key
    KTROUBQZLCALOQ-DQUDHZTESA-N
    2.1.4 Canonical SMILES
    CCCCCCCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
    2.1.5 Isomeric SMILES
    CCCCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
    2.2 Other Identifiers
    2.2.1 UNII
    OE4Q4W32JK
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Testosterone Dodecanoate

    2. Oe4q4w32jk

    3. 59232-78-9

    4. [(8r,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] Dodecanoate

    5. Unii-oe4q4w32jk

    6. Schembl5078095

    7. (17-beta)-3-oxoandrost-4-en-17-yl Dodecanoate

    8. (17beta)-17-((1-oxododecyl)oxy)androst-4-en-3-one

    9. Androst-4-en-3-one, 17-((1-oxododecyl)oxy)-, (17beta)-

    10. (17.beta.)-17-((1-oxododecyl)oxy)androst-4-en-3-one

    11. Androst-4-en-3-one, 17-((1-oxododecyl)oxy)-, (17.beta.)-

    2.4 Create Date
    2012-06-14
    3 Chemical and Physical Properties
    Molecular Weight 470.7 g/mol
    Molecular Formula C31H50O3
    XLogP39.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count12
    Exact Mass470.37599545 g/mol
    Monoisotopic Mass470.37599545 g/mol
    Topological Polar Surface Area43.4 Ų
    Heavy Atom Count34
    Formal Charge0
    Complexity754
    Isotope Atom Count0
    Defined Atom Stereocenter Count6
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1