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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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