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    Dimethandrolone

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Od742d6tj9, Cdb-1321d, Cdb-1321, Rti-1176-012, 226066-52-0, (7alpha,11beta,17beta)-17-hydroxy-7,11-dimethylestr-4-en-3-one
    Molecular Formula
    C20H30O2
    Molecular Weight
    302.5  g/mol
    InChI Key
    KVIKZOGGZHCGFH-RJMNTABLSA-N
    FDA UNII
    OD742D6TJ9
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (7R,8R,9S,10R,11S,13S,14S,17S)-17-hydroxy-7,11,13-trimethyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
    2.1.2 InChI
    InChI=1S/C20H30O2/c1-11-8-13-9-14(21)4-5-15(13)18-12(2)10-20(3)16(19(11)18)6-7-17(20)22/h9,11-12,15-19,22H,4-8,10H2,1-3H3/t11-,12+,15+,16+,17+,18-,19+,20+/m1/s1
    2.1.3 InChI Key
    KVIKZOGGZHCGFH-RJMNTABLSA-N
    2.1.4 Canonical SMILES
    CC1CC2=CC(=O)CCC2C3C1C4CCC(C4(CC3C)C)O
    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(C[C@@H]3C)C)O
    2.2 Other Identifiers
    2.2.1 UNII
    OD742D6TJ9
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 7a,11b-dmnt

    2. 7alpha,11beta-dimethyl-19-nortestosterone

    2.3.2 Depositor-Supplied Synonyms

    1. Od742d6tj9

    2. Cdb-1321d

    3. Cdb-1321

    4. Rti-1176-012

    5. 226066-52-0

    6. (7alpha,11beta,17beta)-17-hydroxy-7,11-dimethylestr-4-en-3-one

    7. Unii-od742d6tj9

    8. Schembl2246608

    9. Dtxsid001046859

    10. Estr-4-en-3-one, 17-hydroxy-7,11-dimethyl-, (7alpha,11beta,17beta)-

    11. (7.alpha.,11.beta.,17.beta.)-17-hydroxy-7,11-dimethylestr-4-en-3-one

    12. Estr-4-en-3-one, 17-hydroxy-7,11-dimethyl-, (7.alpha.,11.beta.,17.beta.)-

    13. (7r,8r,9s,10r,11s,13s,14s,17s)-17-hydroxy-7,11,13-trimethyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-one

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 302.5 g/mol
    Molecular Formula C20H30O2
    XLogP33.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass302.224580195 g/mol
    Monoisotopic Mass302.224580195 g/mol
    Topological Polar Surface Area37.3 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity522
    Isotope Atom Count0
    Defined Atom Stereocenter Count8
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1