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    Delmadinone acetate

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 13698-49-2, Delmadinone acetate [usan], [(8r,9s,10r,13s,14s,17r)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-9,11,12,14,15,16-hexahydro-8h-cyclopenta[a]phenanthren-17-yl] acetate, Rs-1301, 6-chloro-17-hydroxypregna-1,4,6-triene-3,20-dione acetate, 92833m0ld9
    Molecular Formula
    C23H27ClO4
    Molecular Weight
    402.9  g/mol
    InChI Key
    CGBCCZZJVKUAMX-DFXBJWIESA-N
    FDA UNII
    92833M0LD9
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl] acetate
    2.1.2 InChI
    InChI=1S/C23H27ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h5,8,11-12,16-18H,6-7,9-10H2,1-4H3/t16-,17+,18+,21-,22+,23+/m1/s1
    2.1.3 InChI Key
    CGBCCZZJVKUAMX-DFXBJWIESA-N
    2.1.4 Canonical SMILES
    CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)C=CC34C)Cl)C)OC(=O)C
    2.1.5 Isomeric SMILES
    CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)C=C[C@]34C)Cl)C)OC(=O)C
    2.2 Other Identifiers
    2.2.1 UNII
    92833M0LD9
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Delmadinone

    2. Rs1301

    3. Tardak

    2.3.2 Depositor-Supplied Synonyms

    1. 13698-49-2

    2. Delmadinone Acetate [usan]

    3. [(8r,9s,10r,13s,14s,17r)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-9,11,12,14,15,16-hexahydro-8h-cyclopenta[a]phenanthren-17-yl] Acetate

    4. Rs-1301

    5. 6-chloro-17-hydroxypregna-1,4,6-triene-3,20-dione Acetate

    6. 92833m0ld9

    7. Tardastrex

    8. Pregna-1,4,6-triene-3,20-dione, 17-(acetyloxy)-6-chloro-

    9. Delmadinone Acetate (usan)

    10. Estrex

    11. Tardak

    12. Cyproterone Impurity I

    13. Rs 1301

    14. Delmadinoneacetate

    15. Unii-92833m0ld9

    16. 6-chloro-3,20-dioxopregna-1,4,6-trien-17-yl Acetate (delmadinone Acetate; 1,2-didehydrochlormadinone Acetate)

    17. Einecs 237-219-8

    18. Schembl146080

    19. Chembl2104598

    20. Delmadinone Acetate [mi]

    21. Niosh/tu4521000

    22. Dtxsid60160018

    23. Chebi:135645

    24. Delmadinone Acetate [mart.]

    25. Zinc4215535

    26. Tu45210000

    27. D03675

    28. Q5254243

    29. 6-chloro-delta(sup 1,6)-bis-dehydro-17-alpha-acetoxyprogesterone

    30. 6-chloro-17-alpha-hydroxypregna-1,4,6-triene-3,20-dione Acetate (ester)

    31. Pregna-1,4,6-triene-3,20-dione, 6-chloro-17-alpha-hydroxy-, Acetate (ester)

    32. Acetic Acid (8r,9s,10r,13s,14s,17r)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-8,9,10,11,12,13,14,15,16,17-decahydro-3h-cyclopenta[a]phenanthren-17-yl Ester

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 402.9 g/mol
    Molecular Formula C23H27ClO4
    XLogP33.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass402.1597870 g/mol
    Monoisotopic Mass402.1597870 g/mol
    Topological Polar Surface Area60.4 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity868
    Isotope Atom Count0
    Defined Atom Stereocenter Count6
    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

    Androgen Antagonists

    Compounds which inhibit or antagonize the biosynthesis or actions of androgens. (See all compounds classified as Androgen Antagonists.)

    Progestins

    Compounds that interact with PROGESTERONE RECEPTORS in target tissues to bring about the effects similar to those of PROGESTERONE. Primary actions of progestins, including natural and synthetic steroids, are on the UTERUS and the MAMMARY GLAND in preparation for and in maintenance of PREGNANCY. (See all compounds classified as Progestins.)