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    Fosfestrol

    FINISHED DOSAGE FORMULATIONS

    MARKET PLACE

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    2D Structure
    Also known as: Diethylstilbestrol diphosphate, 522-40-7, Phosphestrol, Honvan, Stilbestrol diphosphate, Phosphoestrolum
    Molecular Formula
    C18H22O8P2
    Molecular Weight
    428.3  g/mol
    InChI Key
    NLORYLAYLIXTID-ISLYRVAYSA-N
    FDA UNII
    A0E0NMA80F
    Fosfestrol is the diphosphate ester of a synthetic, nonsteroidal form of estrogen. A well-known teratogen and carcinogen, diethylstilbestrol inhibits the hypothalamic-pituitary-gonadal axis, thereby blocking the testicular synthesis of testosterone, lowering plasma testosterone, and inducing a chemical castration.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [4-[(E)-4-(4-phosphonooxyphenyl)hex-3-en-3-yl]phenyl] dihydrogen phosphate
    2.1.2 InChI
    InChI=1S/C18H22O8P2/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24/h5-12H,3-4H2,1-2H3,(H2,19,20,21)(H2,22,23,24)/b18-17+
    2.1.3 InChI Key
    NLORYLAYLIXTID-ISLYRVAYSA-N
    2.1.4 Canonical SMILES
    CCC(=C(CC)C1=CC=C(C=C1)OP(=O)(O)O)C2=CC=C(C=C2)OP(=O)(O)O
    2.1.5 Isomeric SMILES
    CC/C(=C(/CC)\C1=CC=C(C=C1)OP(=O)(O)O)/C2=CC=C(C=C2)OP(=O)(O)O
    2.2 Other Identifiers
    2.2.1 UNII
    A0E0NMA80F
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Diethyldioxystilbene Diphosphate

    2. Diethylstilbestrol Diphosphate

    3. Difostilben

    4. Fosfesterol

    5. Fosfestrol, (e)-isomer

    6. Fosfestrol, 99tc-labeled Cpd

    7. Fosfestrol, Disodium Salt, (e)-isomer

    8. Fosfestrol, Sodium Salt, (e)-isomer

    9. Fosfestrol, Tetrasodium Salt, (e)-isomer

    10. Fostestrolum

    11. Fostrolin

    12. Honvan

    13. Kyorin

    14. St-52

    15. Stilbestrol Diphosphate

    16. Stilphostrol

    2.3.2 Depositor-Supplied Synonyms

    1. Diethylstilbestrol Diphosphate

    2. 522-40-7

    3. Phosphestrol

    4. Honvan

    5. Stilbestrol Diphosphate

    6. Phosphoestrolum

    7. (e)-hex-3-ene-3,4-diylbis(4,1-phenylene) Bis(dihydrogen Phosphate)

    8. Fosfestrol [inn]

    9. A0e0nma80f

    10. [4-[(e)-4-(4-phosphonooxyphenyl)hex-3-en-3-yl]phenyl] Dihydrogen Phosphate

    11. Chebi:4532

    12. Diethylstilbestrol Diphosphate [usp]

    13. Ncgc00181335-01

    14. Desdp

    15. St52-asta

    16. Stilphostrol (tn)

    17. Diethylstilbestryl Diphosphate

    18. Diethylstilbesterol Diphosphate

    19. Fosfestrolum

    20. Diethylstilbestrol Diphosphate (usp)

    21. Fosfestrolum [inn-latin]

    22. Ccris 2778

    23. Einecs 208-328-8

    24. Unii-a0e0nma80f

    25. Phenol, 4,4'-((1e)-1,2-diethyl-1,2-ethenediyl)bis-, Bis(dihydrogen Phosphate)

    26. Phenol, 4,4'-[(1e)-1,2-diethyl-1,2-ethenediyl]bis-, Bis(dihydrogen Phosphate)

    27. 13425-53-1

    28. Fosfestrol [mi]

    29. Fosfestrol (jan/inn)

    30. Fosfestrol [jan]

    31. Alpha,alpha'-diethyl-(e)-4,4'-stilbenediol Bis(dihydrogen Phosphate)

    32. Fosfestrol [mart.]

    33. Schembl9370

    34. Dsstox_cid_26906

    35. Dsstox_rid_82005

    36. Fosfestrol [who-dd]

    37. Phenol, 4,4'-(1,2-diethyl-1,2-ethenediyl)bis-, Bis(dihydrogen Phosphate), (e)-

    38. Dsstox_gsid_46906

    39. Diethylstilbestrol Bisphosphate

    40. Chembl1200598

    41. Dtxsid3046906

    42. (e)-4,4'-(hex-3-ene-3,4-diyl)bis(4,1-phenylene) Bis(dihydrogen Phosphate)

    43. 3-hexene-3,4-diylbis(4,1-phenylene) Bis[dihydrogen (phosphate)]

    44. Zinc1531012

    45. Tox21_112794

    46. 4,4'-stilbenediol, Alpha,alpha'-diethyl-, Bis(dihydrogen Phosphate), (e)-

    47. Akos005267157

    48. Cas-522-40-7

    49. 3,4-bis[p-(phosphonooxy)phenyl]-3-hexene

    50. Bb 0266147

    51. Diethylstilbestrol Diphosphate [vandf]

    52. C08145

    53. D00946

    54. Sr-01000945066

    55. Diethylstilbestrol Diphosphate [orange Book]

    56. Q1003185

    57. Sr-01000945066-1

    58. .alpha.,.alpha.'-diethyl-(e)-4,4'-stilbenediol Bis(dihydrogen Phosphate)

    59. [4-[(e)-1-ethyl-2-(4-phosphonooxyphenyl)but-1-enyl]phenyl] Dihydrogen Phosphate

    60. 4-{1-ethyl-2-[4-(phosphonooxy)phenyl]-1-butenyl}phenyl Dihydrogen Phosphate

    61. Phenol, 4,4'-(1,2-diethyl-1,2-ethenediyl)bis-, Bis(dihydrogen Phosphate), (e)

    2.4 Create Date
    2005-03-25
    3 Chemical and Physical Properties
    Molecular Weight 428.3 g/mol
    Molecular Formula C18H22O8P2
    XLogP32.5
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count8
    Exact Mass428.07899165 g/mol
    Monoisotopic Mass428.07899165 g/mol
    Topological Polar Surface Area134 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity568
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antineoplastic Agents, Hormonal

    Antineoplastic agents that are used to treat hormone-sensitive tumors. Hormone-sensitive tumors may be hormone-dependent, hormone-responsive, or both. A hormone-dependent tumor regresses on removal of the hormonal stimulus, by surgery or pharmacological block. Hormone-responsive tumors may regress when pharmacologic amounts of hormones are administered regardless of whether previous signs of hormone sensitivity were observed. The major hormone-responsive cancers include carcinomas of the breast, prostate, and endometrium; lymphomas; and certain leukemias. (From AMA Drug Evaluations Annual 1994, p2079) (See all compounds classified as Antineoplastic Agents, Hormonal.)

    4.2 ATC Code

    L - Antineoplastic and immunomodulating agents

    L02 - Endocrine therapy

    L02A - Hormones and related agents

    L02AA - Estrogens

    L02AA04 - Fosfestrol