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Chemistry

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Also known as: Sodium estrone sulfate, Estrone sodium sulfate, 438-67-5, Estrone sodium sulphate, Estrone 3-sulfate sodium salt, Conestoral
Molecular Formula
C18H21NaO5S
Molecular Weight
372.4  g/mol
InChI Key
VUCAHVBMSFIGAI-ZFINNJDLSA-M
FDA UNII
6K6FDA543A

Conjugated Estrogens
1 2D Structure

Conjugated Estrogens

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfate
2.1.2 InChI
InChI=1S/C18H22O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,15-,16+,18+;/m1./s1
2.1.3 InChI Key
VUCAHVBMSFIGAI-ZFINNJDLSA-M
2.1.4 Canonical SMILES
CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)[O-].[Na+]
2.1.5 Isomeric SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)[O-].[Na+]
2.2 Other Identifiers
2.2.1 UNII
6K6FDA543A
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Estrone Sulfate

2. Estrone Sulfate, 14c-labeled

3. Estrone Sulfate, 16-(14)c-labeled

4. Estrone Sulfate, Ammonium Salt

5. Estrone Sulfate, Potassium Salt

6. Estrone Sulfate, Sodium Salt

7. Estrone-3-sulfate

8. Evex

9. Oestrone Sulphate

10. Potassium Estrone Sulfate

11. Sodium Estrone Sulfate

2.3.2 Depositor-Supplied Synonyms

1. Sodium Estrone Sulfate

2. Estrone Sodium Sulfate

3. 438-67-5

4. Estrone Sodium Sulphate

5. Estrone 3-sulfate Sodium Salt

6. Conestoral

7. Hyhorin

8. Morestin

9. Estrone Sulfate Sodium

10. Par Estro

11. Estrone Sulfate Sodium Salt

12. Estrone-3-sulfate Sodium Salt

13. Sodium Estrone Sulphate

14. Sodium Estrone 3-sulfate

15. Oestrone-3-sulphate Sodium Salt

16. Estrogenic Substances (conjugated)

17. Estra-1,3,5(10)-trien-17-one, 3-(sulfooxy)-, Sodium Salt

18. 6k6fda543a

19. Chebi:8389

20. 17-oxoestra-1,3,5(10)-trien-3-yl Sodium Sulfate

21. Nsc-18313

22. Estrone Sulfate (sodium)

23. Sodium;[(8r,9s,13s,14s)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-3-yl] Sulfate

24. Sodium Estrone-3-sulfate

25. 1,3,5(10)-estratrien-3-ol-17-one Sulphate, Sodium Salt

26. Smr000058772

27. Einecs 207-120-4

28. Nsc 18313

29. Unii-6k6fda543a

30. Conjugated Estrogens: Sodium Estrone Sulfate

31. Estrone3-sulfatesodiumsalt

32. Sodium (8r,9s,13s,14s)-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6h-cyclopenta(a)phenanthren-3-yl Sulfate

33. Sodium (8r,9s,13s,14s)-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6h-cyclopenta[a]phenanthren-3-yl Sulfate

34. Sodium 17-oxoestra-1(10),2,4-trien-3-yl Sulfate

35. Estrone, Hydrogen Sulfate, Sodium Salt

36. Schembl4616

37. Mls000069757

38. Mls001424259

39. Chembl2106240

40. Dtxsid00860005

41. Dtxsid70881181

42. Hms2052j05

43. Hms2232j23

44. Discontinued. See E889070

45. Akos015967195

46. Estrone Sodium Sulfate [vandf]

47. Ccg-101163

48. Hy-113293b

49. Nc00413

50. Estrone Sodium Sulfate [who-dd]

51. Cs-0108249

52. D00312

53. Q4118295

54. Sodium 17-oxoestra-1,3,5(10)-trien-3-yl Sulfate

55. Estrone 3-sulfate Sodium Salt, Stabilized With Tris

56. Estra-1,3,5(10)-trien-17-one 3-(sulfooxy) Sodium Salt

57. Sodium [(8r,9s,13s,14s)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-3-yl] Sulfate

2.4 Create Date
2008-02-05
3 Chemical and Physical Properties
Molecular Weight 372.4 g/mol
Molecular Formula C18H21NaO5S
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass372.10073922 g/mol
Monoisotopic Mass372.10073922 g/mol
Topological Polar Surface Area91.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity630
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Drug and Medication Information
4.1 Drug Information
1 of 2  
Drug NamePremarin
PubMed HealthConjugated Estrogens (By mouth)
Drug ClassesEndocrine-Metabolic Agent, Musculoskeletal Agent
Drug LabelPremarin Intravenous (conjugated estrogens, USP) for injection contains a mixture of conjugated estrogens obtained exclusively from natural sources, occurring as the sodium salts of water-soluble estrogen sulfates blended to represent the average com...
Active IngredientEstrogens, conjugated
Dosage FormTablet; Cream; Injectable
Routeoral; Injection; Oral; Topical, vaginal
Strength25mg/vial; 0.45mg; 1.25mg; 0.625mg/gm; 0.625mg; 0.9mg; 0.3mg
Market StatusPrescription
CompanyWyeth Pharms

2 of 2  
Drug NamePremarin
PubMed HealthConjugated Estrogens (By mouth)
Drug ClassesEndocrine-Metabolic Agent, Musculoskeletal Agent
Drug LabelPremarin Intravenous (conjugated estrogens, USP) for injection contains a mixture of conjugated estrogens obtained exclusively from natural sources, occurring as the sodium salts of water-soluble estrogen sulfates blended to represent the average com...
Active IngredientEstrogens, conjugated
Dosage FormTablet; Cream; Injectable
Routeoral; Injection; Oral; Topical, vaginal
Strength25mg/vial; 0.45mg; 1.25mg; 0.625mg/gm; 0.625mg; 0.9mg; 0.3mg
Market StatusPrescription
CompanyWyeth Pharms

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06-May-2021
14-Aug-2024
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