loader
Please Wait
Applying Filters...

Seqens Seqens

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about Prestwick2_000908, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    Prestwick2_000908

    APIs // Active Pharmaceutical Ingredients

    DOSSIERs // Finished Dosage Forms

    ANALYTICAL SOLUTION(s)

    DIGITAL CONTENT

    PharmaCompass

    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    Also known as: 297-76-7, Femulen, Continuin, Ethinodiol diacetate, Etynodiol acetate, Etynodiol diacetate
    Molecular Formula
    C24H32O4
    Molecular Weight
    384.5  g/mol
    InChI Key
    ONKUMRGIYFNPJW-KIEAKMPYSA-N
    FDA UNII
    62H10A1236
    A synthetic progestational hormone used alone or in combination with estrogens as an oral contraceptive (CONTRACEPTIVES, ORAL).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(3S,8R,9S,10R,13S,14S,17R)-17-acetyloxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
    2.1.2 InChI
    InChI=1S/C24H32O4/c1-5-24(28-16(3)26)13-11-22-21-8-6-17-14-18(27-15(2)25)7-9-19(17)20(21)10-12-23(22,24)4/h1,14,18-22H,6-13H2,2-4H3/t18-,19-,20+,21+,22-,23-,24-/m0/s1
    2.1.3 InChI Key
    ONKUMRGIYFNPJW-KIEAKMPYSA-N
    2.1.4 Canonical SMILES
    CC(=O)OC1CCC2C3CCC4(C(C3CCC2=C1)CCC4(C#C)OC(=O)C)C
    2.1.5 Isomeric SMILES
    CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@]4(C#C)OC(=O)C)C
    2.2 Other Identifiers
    2.2.1 UNII
    62H10A1236
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (3 Beta, 17 Alpha)-19-norpregn-4-en-20-yne-3,17 Diol Diacetate

    2. 19-norpregn-4-en-20-yne-3,17-diol, Diacetate, (3beta,17alpha)-

    3. Continuin

    4. Ethyndiol Diacetate

    5. Ethynodiol Diacetate, (17 Alpha)-isomer

    6. Femulen

    2.3.2 Depositor-Supplied Synonyms

    1. 297-76-7

    2. Femulen

    3. Continuin

    4. Ethinodiol Diacetate

    5. Etynodiol Acetate

    6. Etynodiol Diacetate

    7. Cervicundin

    8. Metrodiol

    9. Luto-metrodiol

    10. Metrodiol Diacetate

    11. Sc 11800

    12. Ovulen 50

    13. Sc-11800

    14. 19-nor-17alpha-pregn-4-en-20-yne-3beta,17-diol Diacetate

    15. 17a-ethynyl-4-estren-3b,17-diol Diacetate

    16. Chebi:31580

    17. Ethynodiol Acetate

    18. (3beta,17beta)-17-ethynylestr-4-ene-3,17-diyl Diacetate

    19. [(3s,8r,9s,10r,13s,14s,17r)-17-acetyloxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] Acetate

    20. 17alpha-ethynyl-3,17-dihydroxy-4-estrene Diacetate

    21. 17alpha-ethynylestr-4-ene-3beta,17beta-diol Acetate

    22. 3beta, 17beta-diacetoxy-17alpha-ethynyl-4-oestrene

    23. 17alpha-ethynyl-4-estrene-3beta,17beta-diol Diacetate

    24. Nsc-759288

    25. (3s,8r,9s,10r,13s,14s,17r)-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,17-diyl Diacetate

    26. Ethynodiol (diacetate)

    27. Ncgc00166138-01

    28. 3beta,17beta-diacetoxy-19-nor-17alpha-pregn-4-en-20-yne

    29. Etynodiol Di(acetate)

    30. 17alpha-ethynyl-19-norandrost-4-ene-3beta,17-beta-diol Diacetate

    31. Dsstox_cid_614

    32. 62h10a1236

    33. Dsstox_rid_75690

    34. Dsstox_gsid_20614

    35. Ethynodiol Diacetate [usan]

    36. 19-norpregn-4-en-20-yn-3beta,17alpha-diol, Diacetate

    37. Ccris 305

    38. 8080 C. B.

    39. Ethynodiol Diacetate [progestins]

    40. Einecs 206-044-9

    41. 17-alpha-ethynyl-3,17-dihydroxy-4-estrene Diacetate

    42. 3-beta, 17-beta-diacetoxy-17-alpha-ethynyl-4-oestrene

    43. 17-alpha-ethynylestr-4-ene-3-beta,17-beta-diol Acetate

    44. 17-alpha-ethynyl-4-estrene-3-beta,17-beta-diol Diacetate

    45. 19-norpregn-4-en-20-yne-3,17-diol, Diacetate, (3.beta.,17.alpha.)-

    46. Ethynodiol Diacetate (jan/usp)

    47. 3-beta,17-beta-diacetoxy-19-nor-17-alpha-pregn-4-en-20-yne

    48. Ethynodiol Diacetate [usan:usp]

    49. (3-beta,17-alpha)-19-norpregn-4-en-20-yne-3,17-diol Diacetate

    50. 17-alpha-ethynyl-19-norandrost-4-ene-3-beta,17-beta-diol Diacetate

    51. Unii-62h10a1236

    52. Ncgc00186466-01

    53. Ethynodiol-diacetate

    54. Cas-297-76-7

    55. 19-nor-17-alpha-pregn-4-en-20-yne-3-beta,17-diol Diacetate

    56. Prestwick0_000908

    57. Prestwick1_000908

    58. Prestwick2_000908

    59. Prestwick3_000908

    60. Schembl40888

    61. Bspbio_000756

    62. Mls000028661

    63. Spbio_002955

    64. 17alpha-ethynylestr-4-ene-3beta,17beta-diyl Diacetate

    65. Bpbio1_000832

    66. Gtpl7072

    67. Chembl1200624

    68. Dtxsid4020614

    69. Ethynodiol Diacetate [mi]

    70. Ethynodiol Diacetate [jan]

    71. Hms1570f18

    72. Hms2097f18

    73. Hms3714f18

    74. Bcp10923

    75. Etynodiol Diacetate [mart.]

    76. Hy-b1089

    77. Zinc3876023

    78. Tox21_112333

    79. Tox21_112924

    80. Bdbm50237627

    81. Etynodiol Diacetate [who-dd]

    82. Lmst02030124

    83. Mfcd00083326

    84. S3160

    85. Ethynodiol Diacetate [usp-rs]

    86. Akos015895252

    87. Tox21_112333_1

    88. 8080 Cb

    89. Ccg-220908

    90. Cs-4640

    91. Db00823

    92. Nsc 759288

    93. Ncgc00166138-02

    94. Ncgc00166138-03

    95. Ncgc00166138-04

    96. Ncgc00166138-05

    97. As-13382

    98. Ethynodiol Diacetate [orange Book]

    99. Smr000058858

    100. Ethynodiol Diacetate [usp Impurity]

    101. Zovia Component Ethynodiol Diacetate

    102. Ethynodiol Diacetate [usp Monograph]

    103. Kelnor Component Ethynodiol Diacetate

    104. Ovulen Component Ethynodiol Diacetate

    105. Ab00513958

    106. B1508

    107. E1315

    108. D01294

    109. Ethynodiol Diacetate Component Of Kelnor

    110. Ethynodiol Diacetate Component Of Ovulen

    111. T72249

    112. Ab00513958_02

    113. 297e767

    114. A820050

    115. Sr-01000872687

    116. J-017631

    117. Q5405160

    118. Sr-01000872687-1

    119. 19-norpregn-4-en-20-yne-3,17-diol, Diacetate, (3b,17a)-

    120. (3beta, 17alpha)-19-norpregn-4-en-20-yne-3,17-diol Diacetate

    121. Ethynodiol Diacetate, United States Pharmacopeia (usp) Reference Standard

    122. [(3s,8r,9s,10r,13s,14s,17r)-17-acetoxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] Acetate;ethynodiol Diacetate

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 384.5 g/mol
    Molecular Formula C24H32O4
    XLogP33.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count5
    Exact Mass384.23005950 g/mol
    Monoisotopic Mass384.23005950 g/mol
    Topological Polar Surface Area52.6 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity758
    Isotope Atom Count0
    Defined Atom Stereocenter Count7
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    For the prevention of pregnancy in women who elect to use this product as a method of contraception.

    5 Pharmacology and Biochemistry
    5.1 Pharmacology

    Ethynodiol Diacetate is used as a female contraceptive. Ethynodiol Diacetate is a progestin or a synthetic form of the naturally occurring female sex hormone, progesterone. In a woman's normal menstrual cycle, an egg matures and is released from the ovaries (ovulation). The ovary then produces progesterone, preventing the release of further eggs and priming the lining of the womb for a possible pregnancy. If pregnancy occurs, progesterone levels in the body remain high, maintaining the womb lining. If pregnancy does not occur, progesterone levels in the body fall, resulting in a menstrual period. Ethynodiol Diacetate tricks the body processes into thinking that ovulation has already occurred, by maintaining high levels of the synthetic progesterone. This prevents the release of eggs from the ovaries.

    5.2 MeSH Pharmacological Classification

    Contraceptives, Oral, Hormonal

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

    Contraceptives, Oral, Synthetic

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

    5.3 Mechanism of Action

    Binds to the progesterone and estrogen receptors. Target cells include the female reproductive tract, the mammary gland, the hypothalamus, and the pituitary. Once bound to the receptor, progestins like Ethynodiol Diacetate will slow the frequency of release of gonadotropin releasing hormone (GnRH) from the hypothalamus and blunt the pre-ovulatory LH (luteinizing hormone) surge.

    Post Enquiry
    POST ENQUIRY