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Norethindrone Enanthate

Norethindrone Enanthate

Synopsis, Chemistry

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Also known as: 3836-23-5, Norethindrone enanthate, Noristerat, Norethisterone enantate, Norigest, Norethisterone oenanthate

Molecular Formula

C₂₇H₃₈O₃

Molecular Weight

410.6 g/mol

InChI Key

APTGJECXMIKIET-WOSSHHRXSA-N

FDA UNII

HY3S2K0J0F

1 2D Structure

Norethindrone Enanthate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate

2.1.2 InChI

InChI=1S/C27H38O3/c1-4-6-7-8-9-25(29)30-27(5-2)17-15-24-23-12-10-19-18-20(28)11-13-21(19)22(23)14-16-26(24,27)3/h2,18,21-24H,4,6-17H2,1,3H3/t21-,22+,23+,24-,26-,27-/m0/s1

2.1.3 InChI Key

APTGJECXMIKIET-WOSSHHRXSA-N

2.1.4 Canonical SMILES

CCCCCCC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34)C)C#C

2.1.5 Isomeric SMILES

CCCCCCC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)C#C

2.2 Other Identifiers

2.2.1 UNII

HY3S2K0J0F

2.3 Synonyms

2.3.1 MeSH Synonyms

1. (17 Alpha)-17-((1-oxoheptyl)oxy)-19-norpregn-4-en-20-yn-3-one

2. 19-norethindrone Enanthate

3. Norethindrone Enanthate

4. Norethisterone Oenanthate

2.3.2 Depositor-Supplied Synonyms

1. 3836-23-5

2. Norethindrone Enanthate

3. Noristerat

4. Norethisterone Enantate

5. Norigest

6. Norethisterone Oenanthate

7. Norlutin Enanthate

8. [(8r,9s,10r,13s,14s,17r)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] Heptanoate

9. Sh 393

10. Hy3s2k0j0f

11. Nee

12. Chebi:34894

13. 17alpha-ethynyl-17beta-heptanoyloxy-4-estren-3-one

14. Nsc-22846

15. Norethisterone Enantate (norethindrone Enanthate)

16. Sovel

17. 19-norpregn-4-en-20-yn-3-one, 17-[(1-oxoheptyl)oxy]-, (17a)-

18. Unii-hy3s2k0j0f

19. Ccris 6526

20. 17alpha-ethynyl-19-nortestosterone Enanthate

21. Noristerat (tn)

22. Ncgc00182712-01

23. 17alpha-ethynyl-19-nortestosterone 17-heptanoate

24. Einecs 223-326-7

25. Lg 202

26. Brn 3176529

27. Norethindrone Heptanoate

28. Norethisterone-enanthate

29. 17alpha-ethinyl-19-nortestosterone Enanthate

30. 17-alpha-ethinyl-19-nortestosterone Enanthate

31. Dsstox_cid_28590

32. Dsstox_rid_82861

33. Dsstox_gsid_48664

34. Schembl354296

35. 17-alpha-ethynyl-17-beta-heptanoyloxy-4-estren-3-one

36. 17-beta-heptanoyloxy-17-alpha-ethynyl-4-oestren-3-one

37. 19-nor-17alpha-pregnen-20-ynone, 17beta-heptanoyloxy-

38. Chembl3187229

39. Dtxsid2048664

40. 3-oxo-19-nor-17alpha-pregn-4-en-20-in-17-yl-heptanot

41. Bcp10922

42. Hy-a0285

43. Nsc22846

44. Zinc4217172

45. Tox21_113027

46. 19-nor-17alpha-pregn-4-en-20-yn-3-one, 17-hydroxy-, Heptanate

47. S6589

48. 19-norpregn-4-en-20-yn-3-one, 17-((1-oxoheptyl)oxy)-, (17alpha)-

49. Akos015896289

50. Ac-6835

51. Db14678

52. Norethisterone Enantate [mart.]

53. Zk-5410

54. Norethisterone Enantate [who-dd]

55. Norethisterone Enantate [who-ip]

56. As-13385

57. Cas-3836-23-5

58. Sh-8.0393

59. Cs-0019768

60. Norethisteroni Enantas [who-ip Latin]

61. 17.alpha.-ethinyl-19-nortestosterone Enanthate

62. 17.alpha.-ethynyl-19-nortestosterone Enanthate

63. D08285

64. 836n235

65. 17.alpha.-ethynyl-19-nortestosterone 17-heptanoate

66. Q7050956

67. Wln: L E5 B666 Ov Mutj E1 Fov6 F1uu1

68. 19-nor-17.alpha.-pregn-4-en-20-yn-3-one, Heptanate

69. 19-nor-17.alpha.-pregn-4-en-20-yn-3-one, Heptanoate

70. 17.alpha.-ethynyl-17.beta.-heptanoyloxy-4-estren-3-one

71. 19-nor-17-alpha-pregnen-20-ynone, 17-beta-heptanoyloxy-

72. 19-nor-17.alpha.-pregnen-20-ynone, 17.beta.-heptanoyloxy-

73. (17alpha)-17-((1-oxoheptyl)oxy)-19-norpregn-4-en-20-yn-3-one

74. 19-nor-17alpha-pregn-4-en-20-yn-3-one, 17-hydroxy-, Heptanoate

75. 19-norpregn-4-en-20-yn-3-one, 17-((1-oxoheptyl)oxy)-, (17.alpha.)-

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₂₇H₃₈O₃
Molecular Weight	410.6 g/mol
XLogP3	6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Exact Mass	410.28209507 g/mol
Monoisotopic Mass	410.28209507 g/mol
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	770
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 MeSH Pharmacological Classification

Contraceptives, Oral, Synthetic

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

Contraceptive Agents, Female

Chemical substances or agents with contraceptive activity in females. Use for female contraceptive agents in general or for which there is no specific heading. (See all compounds classified as Contraceptive Agents, Female.)

Contraceptive Agents, Hormonal

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