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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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Synopsis

ACTIVE PHARMA INGREDIENTS

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USDMF

CEP/COS

JDMF

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KDMF

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API REF. PRICE (USD/KG)

$ 984

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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

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 Formula	C₂₁H₂₈O₂
Molecular Weight	312.4 g/mol
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	312.208930132 g/mol
Monoisotopic Mass	312.208930132 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	638
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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

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API Reference Price

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