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    Algestone Acetophenide

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Algestone acetophenide, Algesterone acetophenide, 24356-94-3, Hms3264g12, Pharmakon1600-01505720, Nsc759863
    Molecular Formula
    C29H36O4
    Molecular Weight
    448.6  g/mol
    InChI Key
    AHBKIEXBQNRDNL-LZAIWCNMSA-N
    A progesterone that has been used in ESTRUS SYNCHRONIZATION and has been evaluated as an injectable contraceptive in combination with estradiol enanthate. It is also applied topically as an anti-inflammatory and in the treatment of ACNE.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4R,6R,8S,9S,13R)-8-acetyl-6,9,13-trimethyl-6-phenyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one
    2.1.2 InChI
    InChI=1S/C29H36O4/c1-18(30)29-25(32-28(4,33-29)19-8-6-5-7-9-19)17-24-22-11-10-20-16-21(31)12-14-26(20,2)23(22)13-15-27(24,29)3/h5-9,16,22-25H,10-15,17H2,1-4H3/t22?,23?,24?,25-,26+,27+,28-,29-/m1/s1
    2.1.3 InChI Key
    AHBKIEXBQNRDNL-LZAIWCNMSA-N
    2.1.4 Canonical SMILES
    CC(=O)C12C(CC3C1(CCC4C3CCC5=CC(=O)CCC45C)C)OC(O2)(C)C6=CC=CC=C6
    2.1.5 Isomeric SMILES
    CC(=O)[C@@]12[C@@H](CC3[C@@]1(CCC4C3CCC5=CC(=O)CC[C@]45C)C)O[C@@](O2)(C)C6=CC=CC=C6
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Acetophenide, Algestone

    2. Acetophenide, Alphasone

    3. Acetophenide, Dihydroxyprogesterone

    4. Algestone Acetophenide

    5. Alphasone Acetophenide

    6. Dihydroxyprogesterone Acetophenide

    7. Pregn-4-ene-3,20-dione, 16,17-((1-phenylethylidene)bis(oxy))-, (16alpha(r))-

    2.2.2 Depositor-Supplied Synonyms

    1. Algestone Acetophenide

    2. Algesterone Acetophenide

    3. 24356-94-3

    4. Hms3264g12

    5. Pharmakon1600-01505720

    6. Nsc759863

    7. Akos037643276

    8. Ccg-213531

    9. As-12206

    10. Sbi-0206921.p001

    11. Ab01563116_01

    12. Sr-05000001972

    13. Sr-05000001972-1

    14. Brd-a09977907-001-01-9

    2.3 Create Date
    2010-03-26
    3 Chemical and Physical Properties
    Molecular Weight 448.6 g/mol
    Molecular Formula C29H36O4
    XLogP34.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass448.26135963 g/mol
    Monoisotopic Mass448.26135963 g/mol
    Topological Polar Surface Area52.6 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity901
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count3
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anti-Inflammatory Agents

    Substances that reduce or suppress INFLAMMATION. (See all compounds classified as Anti-Inflammatory Agents.)

    Contraceptive Agents, Hormonal

    Contraceptive agents that act on the ENDOCRINE SYSTEM. (See all compounds classified as Contraceptive Agents, Hormonal.)

    Contraceptives, Oral, Synthetic

    Oral contraceptives which owe their effectiveness to synthetic preparations. (See all compounds classified as Contraceptives, Oral, Synthetic.)

    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.)