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    Chemistry

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    Also known as: 434-03-7, Pregneninolone, Aethisteron, Syngestrotabs, Anhydrohydroxyprogesterone, Trosinone
    Molecular Formula
    C21H28O2
    Molecular Weight
    312.4  g/mol
    InChI Key
    CHNXZKVNWQUJIB-CEGNMAFCSA-N
    FDA UNII
    P201BVY1MJ
    Ethisterone
    17 alpha-Hydroxypregn-4-en-20-yn-3-one. A synthetic steroid hormone with progestational effects.
    1 2D Structure

    Ethisterone

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
    2.1.2 InChI
    InChI=1S/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
    2.1.3 InChI Key
    CHNXZKVNWQUJIB-CEGNMAFCSA-N
    2.1.4 Canonical SMILES
    CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C#C)O)C
    2.1.5 Isomeric SMILES
    C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C#C)O)C
    2.2 Other Identifiers
    2.2.1 UNII
    P201BVY1MJ
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 17 Alpha Ethynyltestosterone

    2. 17 Alpha-ethynyltestosterone

    3. Anhydrohydroxyprogesterone

    4. Pregneninolone

    2.3.2 Depositor-Supplied Synonyms

    1. 434-03-7

    2. Pregneninolone

    3. Aethisteron

    4. Syngestrotabs

    5. Anhydrohydroxyprogesterone

    6. Trosinone

    7. 17alpha-ethynyltestosterone

    8. Ora-lutin

    9. Ethynyltestosterone

    10. Aethisteronum

    11. Ethisteronum

    12. Etisterona

    13. Pranone

    14. Nugestoral

    15. 17alpha-ethinyltestosterone

    16. Anhydroxyprogesterone

    17. 17alpha-ethinyl Testosterone

    18. Progestolets

    19. Prodroxan

    20. Produxan

    21. Progestab

    22. (17alpha)-17-hydroxypregn-4-en-20-yn-3-one

    23. P201bvy1mj

    24. Mls000069396

    25. Chembl241694

    26. Chebi:34749

    27. 17alpha-ethynyl-17beta-hydroxyandrost-4-en-3-one

    28. 17-beta-hydroxy-17-alpha-ethynyl-4-androsten-3-one

    29. 17-ethinyltestosterone

    30. Smr000058320

    31. Dsstox_cid_3016

    32. 17-ethynyl-17beta-hydroxyandrost-4-en-3-one

    33. Dsstox_rid_76831

    34. Dsstox_gsid_23016

    35. (8r,9s,10r,13s,14s,17r)-17-ethynyl-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3h-cyclopenta[a]phenanthren-3-one

    36. (8r,9s,10r,13s,14s,17r)-17-ethynyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one

    37. Ethinyl Testosterone

    38. Etisterone

    39. Praegninum

    40. Nsc-9565

    41. Mfcd00003656

    42. Etisterone [dcit]

    43. 17-ethinyl Testosterone

    44. Ethisteronum [inn-latin]

    45. Etisterona [inn-spanish]

    46. Unii-p201bvy1mj

    47. 17-alpha-ethynyltestosterone

    48. Ethisterone [inn:ban:nf]

    49. Ncgc00095023-01

    50. Ncgc00159363-02

    51. Cas-434-03-7

    52. Nsc 9565

    53. Einecs 207-096-5

    54. Ethisterone Anhydrohydroxyprogesterone

    55. Brn 1889895

    56. 17a-ethynyltestosterone

    57. 17-ethynyl-17.beta.-hydroxyandrost-4-en-3-one

    58. Ai3-26421

    59. Ethisterone [mi]

    60. Opera_id_1078

    61. Prestwick3_000261

    62. Ethisterone [inn]

    63. Ec 207-096-5

    64. 17-hydroxy-17-alpha-pregn-4-en-20-yn-3-one

    65. Ethisterone [mart.]

    66. Schembl24475

    67. Bspbio_000102

    68. Ethisterone [usp-rs]

    69. Ethisterone [who-dd]

    70. 4-08-00-01225 (beilstein Handbook Reference)

    71. Androst-4-en-3-one, 17alpha-ethynyl-17-hydroxy-

    72. Mls001076282

    73. Bpbio1_000114

    74. Dtxsid2023016

    75. Pregn-4-en-20-yn-3-one, 17-hydroxy-, (17alpha)-

    76. Ethisterone, >=99% (hplc)

    77. Hms2090e14

    78. Hms2095f04

    79. Hms2234j08

    80. Hms3712f04

    81. (8r,9s,10r,13s,14s,17r)-17-ethynyl-17-hydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3(2h)-one

    82. Bcp23355

    83. Hy-b0487

    84. Zinc3881635

    85. Tox21_111393

    86. Tox21_111604

    87. Tox21_302324

    88. Bbl028141

    89. Bdbm50198711

    90. S2611

    91. Stk801873

    92. Akos005622724

    93. Tox21_111604_1

    94. Ac-2170

    95. Bcp9000664

    96. Ccg-220261

    97. Ncgc00021466-03

    98. Ncgc00021466-05

    99. Ncgc00021466-06

    100. Ncgc00255184-01

    101. 17alpha-hydroxypregn-4-en-20-yn-3-one

    102. As-13381

    103. Bcp0726000218

    104. Ab00490005

    105. B1502

    106. E0040

    107. 17-hydroxy-17alpha-pregn-4-en-20-yn-3-one

    108. Ab00384255-11

    109. Ab00384255-13

    110. Ab00384255_14

    111. Ethisterone, Vetranal(tm), Analytical Standard

    112. 17alpha-pregn-4-en-20-yn-3-one, 17-hydroxy-

    113. 434e037

    114. A826270

    115. Sr-01000002984

    116. 17-alpha-pregn-4-en-20-yn-3-one, 17-hydroxy-

    117. 17alpha-ethynyl-17beta-hydroxy-androst-4-en-3-one

    118. Q5403717

    119. Sr-01000002984-2

    120. Brd-k03981224-001-02-9

    121. Pregn-4-en-20-yn-3-one, 17-hydroxy-, (17-alpha)-

    122. (8r,10r,13s,17r)-17-ethynyl-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one

    123. (8r,9s,10r,13s,14s,17r)-17-ethynyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one;ethisterone

    124. (8r,9s,10r,13s,14s,17s)-17-ethynyl-17-hydroxy-10,13-dimethyl-1,7,8,10,11,12,13,15,16,17-decahydro-2h-cyclopenta[a]phenanthren-3(6h,9h,14h)-one

    2.4 Create Date
    2005-06-29
    3 Chemical and Physical Properties
    Molecular Weight 312.4 g/mol
    Molecular Formula C21H28O2
    XLogP33.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass312.208930132 g/mol
    Monoisotopic Mass312.208930132 g/mol
    Topological Polar Surface Area37.3 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity638
    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 ATC Code

    G - Genito urinary system and sex hormones

    G03 - Sex hormones and modulators of the genital system

    G03D - Progestogens

    G03DC - Estren derivatives

    G03DC04 - Ethisterone

    API Reference Price

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    09-Feb-2021
    27-Sep-2024
    KGS
    overview
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    Average Price (USD/KGS)

    Number of Transactions

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    Quantity (KGS) & Unit rate (USD/KGS) over time

    API Imports and Exports

    Importing Country Total Quantity
    (KGS)    		 Average Price
    (USD/KGS)    		 Number of Transactions

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