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    Methandriol Dipropionate

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: 3593-85-9, Probolin, 8xiw70q5i3, [(3s,8r,9s,10r,13s,14s,17s)-10,13,17-trimethyl-17-propanoyloxy-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] propanoate, Nsc-26644, Methylandrostendiol dipropionate
    Molecular Formula
    C26H40O4
    Molecular Weight
    416.6  g/mol
    InChI Key
    YUKFLTKJFMBYJM-QNSWYLPSSA-N
    FDA UNII
    8XIW70Q5I3
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(3S,8R,9S,10R,13S,14S,17S)-10,13,17-trimethyl-17-propanoyloxy-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] propanoate
    2.1.2 InChI
    InChI=1S/C26H40O4/c1-6-22(27)29-18-10-13-24(3)17(16-18)8-9-19-20(24)11-14-25(4)21(19)12-15-26(25,5)30-23(28)7-2/h8,18-21H,6-7,9-16H2,1-5H3/t18-,19+,20-,21-,24-,25-,26-/m0/s1
    2.1.3 InChI Key
    YUKFLTKJFMBYJM-QNSWYLPSSA-N
    2.1.4 Canonical SMILES
    CCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4(C)OC(=O)CC)C)C
    2.1.5 Isomeric SMILES
    CCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@]4(C)OC(=O)CC)C)C
    2.2 Other Identifiers
    2.2.1 UNII
    8XIW70Q5I3
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 3593-85-9

    2. Probolin

    3. 8xiw70q5i3

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

    5. Nsc-26644

    6. Methylandrostendiol Dipropionate

    7. Unii-8xiw70q5i3

    8. Anadiol (tn)

    9. Einecs 222-735-8

    10. Methandrioldipropionat

    11. Nsc 26644

    12. Schembl635244

    13. Chebi:34835

    14. Dimethylchloroterephthalate

    15. Dtxsid801016686

    16. Nsc26644

    17. Zinc4216891

    18. Methandriol Dipropionate [mi]

    19. Akos025310703

    20. Methylandrostenediol Dipropionate

    21. Methandriol Dipropionate [vandf]

    22. Methandriol Dipropionate [who-dd]

    23. D08197

    24. F21316

    25. 593m859

    26. A823544

    27. Androst-5-ene-3.beta., 17-methyl-, Dipropionate

    28. Q27116291

    29. 17alpha-methylandrosta-5-ene-3beta,17-diol Dipropanoate

    30. Androst-5-ene-3beta,17beta-diol, 17-methyl-, Dipropionate

    31. Androst-5-ene-3, 17-methyl-, Dipropanoate, (3.beta.,17.beta.)-

    32. Androst-5-ene-3,17-diol, 17-methyl-, Dipropanoate, (3beta,17beta)-

    33. 17.alpha.-methylandrost-5-ene-3.beta.,17.beta.-diol 3,17-dipropionate

    34. Methandriol Dipropionate;17alpha-methyl-5-androstene-3beta,17beta-diol Dipropionate

    35. Propanoic Acid [(3s,8r,9s,10r,13s,14s,17s)-10,13,17-trimethyl-17-(1-oxopropoxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] Ester

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 416.6 g/mol
    Molecular Formula C26H40O4
    XLogP35.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count6
    Exact Mass416.29265975 g/mol
    Monoisotopic Mass416.29265975 g/mol
    Topological Polar Surface Area52.6 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity741
    Isotope Atom Count0
    Defined Atom Stereocenter Count7
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1