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    Mepitiostane

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 21362-69-6, Thioderon, O00404969k, (1s,3as,3br,5as,6as,7ar,8as,8bs,10as)-1-((1-methoxycyclopentyl)oxy)-8a,10a-dimethylhexadecahydro-1h-cyclopenta[7,8]phenanthro[2,3-b]thiirene, Mepitiostano, Mepitiostanum
    Molecular Formula
    C25H40O2S
    Molecular Weight
    404.7  g/mol
    InChI Key
    IVDYZAAPOLNZKG-KWHRADDSSA-N
    FDA UNII
    O00404969K
    Mepitiostane is an anabolic ether-modified form of the steroid epitiostanol. It has anti-estrogenic effect, which inhibits the progression of estrogen-stimulated cancers by competitive inhibition of estrogen binding to estrogen receptors. (NCI)
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1S,2S,4R,6S,8S,11R,12S,15S,16S)-15-(1-methoxycyclopentyl)oxy-2,16-dimethyl-5-thiapentacyclo[9.7.0.02,8.04,6.012,16]octadecane
    2.1.2 InChI
    InChI=1S/C25H40O2S/c1-23-13-10-19-17(7-6-16-14-20-21(28-20)15-24(16,19)2)18(23)8-9-22(23)27-25(26-3)11-4-5-12-25/h16-22H,4-15H2,1-3H3/t16-,17-,18-,19-,20-,21+,22-,23-,24-/m0/s1
    2.1.3 InChI Key
    IVDYZAAPOLNZKG-KWHRADDSSA-N
    2.1.4 Canonical SMILES
    CC12CCC3C(C1CCC2OC4(CCCC4)OC)CCC5C3(CC6C(C5)S6)C
    2.1.5 Isomeric SMILES
    C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC4(CCCC4)OC)CC[C@@H]5[C@@]3(C[C@@H]6[C@H](C5)S6)C
    2.2 Other Identifiers
    2.2.1 UNII
    O00404969K
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 10364-s

    2. 2-alpha,3 Alpha-epithio-5 Alpha-androstan-17 Beta-yl-1-methoxycyclopentyl Ether

    2.3.2 Depositor-Supplied Synonyms

    1. 21362-69-6

    2. Thioderon

    3. O00404969k

    4. (1s,3as,3br,5as,6as,7ar,8as,8bs,10as)-1-((1-methoxycyclopentyl)oxy)-8a,10a-dimethylhexadecahydro-1h-cyclopenta[7,8]phenanthro[2,3-b]thiirene

    5. Mepitiostano

    6. Mepitiostanum

    7. Thioderon (tn)

    8. Mepitiostane [inn:jan]

    9. Mepitiostane [mi]

    10. Mepitiostane [inn]

    11. Mepitiostane [jan]

    12. Mepitiostanum [inn-latin]

    13. Mepitiostane (jp17/inn)

    14. Mepitiostano [inn-spanish]

    15. Schembl13123

    16. Mepitiostane [mart.]

    17. Mepitiostane [who-dd]

    18. Ccris 2779

    19. Chembl2104860

    20. Chebi:31818

    21. Dtxsid001016882

    22. Unii-o00404969k

    23. Zinc4216860

    24. Akos015904663

    25. Ncgc00522025-01

    26. 10364s

    27. D01602

    28. S 10364

    29. Q6817819

    30. 2-alpha,3-alpha-epithio-17-beta-yl 1-methoxycyclopentyl Ether

    31. 5-alpha-androstane, 2-alpha,3-alpha-epithio-17-beta-(1-methoxycyclopentyloxy)-

    32. Androstane, 2,3-epithio-17-((1-methoxycyclopentyl)oxy)-, (2alpha,3alpha,5alpha,17beta)-

    33. Cyclopentanone 2alpha,3alpha-epithio-5alpha-androstan-17beta-yl Methyl Acetal

    34. Cyclopentanone, 2-alpha, 3-alpha-epithio-5-alpha-androstan-17-beta-yl Methyl Acetal

    35. (1s,2s,4r,6s,8s,11r,12s,15s,16s)-15-(1-methoxycyclopentyl)oxy-2,16-dimethyl-5-thiapentacyclo[9.7.0.02,8.04,6.012,16]octadecane

    36. Androstane, 2,3-epithio-17-((1-methoxycyclopentyl)oxy)-, (2-alpha,3-alpha,5-alpha,17-beta)

    37. Cyclopentanone 2.alpha.,3.alpha.-epithio-5.alpha.-androstan-17.beta.-yl Methyl Acetal

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 404.7 g/mol
    Molecular Formula C25H40O2S
    XLogP36.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass404.27490169 g/mol
    Monoisotopic Mass404.27490169 g/mol
    Topological Polar Surface Area43.8 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity630
    Isotope Atom Count0
    Defined Atom Stereocenter Count9
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anabolic Agents

    These compounds stimulate anabolism and inhibit catabolism. They stimulate the development of muscle mass, strength, and power. (See all compounds classified as Anabolic Agents.)

    Antineoplastic Agents

    Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)

    Estrogen Antagonists

    Compounds which inhibit or antagonize the action or biosynthesis of estrogenic compounds. (See all compounds classified as Estrogen Antagonists.)