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    Technical details about Toremifene, learn more about the structure, uses, toxicity, action, side effects and more

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    Toremifene

    APIs // Active Pharmaceutical Ingredients

    DOSSIERs // Finished Dosage Forms

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    2D Structure
    1. Also known as: 89778-27-8, Fareston, Toremifene citrate [usan], Toremifene (citrate), Fc 1157a, Nk 622
    Molecular Formula
    C32H36ClNO8
    Molecular Weight
    598.1  g/mol
    InChI Key
    IWEQQRMGNVVKQW-OQKDUQJOSA-N
    FDA UNII
    2498Y783QT
    A first generation selective estrogen receptor modulator (SERM). Like TAMOXIFEN, it is an estrogen agonist for bone tissue and cholesterol metabolism but is antagonistic on mammary and uterine tissue.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
    2.1.2 InChI
    InChI=1S/C26H28ClNO.C6H8O7/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-16H,17-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-;
    2.1.3 InChI Key
    IWEQQRMGNVVKQW-OQKDUQJOSA-N
    2.1.4 Canonical SMILES
    CN(C)CCOC1=CC=C(C=C1)C(=C(CCCl)C2=CC=CC=C2)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
    2.1.5 Isomeric SMILES
    CN(C)CCOC1=CC=C(C=C1)/C(=C(/CCCl)\C2=CC=CC=C2)/C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    2498Y783QT
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Citrate, Toremifene

    2. Fareston

    3. Fc 1157a

    4. Fc-1157a

    5. Fc1157a

    6. Toremifene

    7. Toremifene Citrate (1:1)

    8. Toremifene, (e)-isomer

    2.3.2 Depositor-Supplied Synonyms

    1. 89778-27-8

    2. Fareston

    3. Toremifene Citrate [usan]

    4. Toremifene (citrate)

    5. Fc 1157a

    6. Nk 622

    7. Nsc 613680

    8. Fc-1157a

    9. 89778-27-8 (citrate)

    10. Nsc-613680

    11. Nsc613680

    12. 2-(p-((z)-4-chloro-1,2-diphenyl-1-butenyl)phenoxy)-n,n-dimethylethylamine Citrate (1:1)

    13. 2498y783qt

    14. Toremifene Citrate (fareston, Acapodene)

    15. Dsstox_cid_1367

    16. Dsstox_rid_76113

    17. Dsstox_gsid_21367

    18. (z)-2-(4-(4-chloro-1,2-diphenylbut-1-en-1-yl)phenoxy)-n,n-dimethylethan-1-amine 2-hydroxypropane-1,2,3-tricarboxylate

    19. Ethanamine, 2-(4-(4-chloro-1,2-diphenyl-1-butenyl)phenoxy)-n,n-dimethyl-, (z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

    20. (2-{4-[(1z)-4-chloro-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine; 2-hydroxypropane-1,2,3-tricarboxylic Acid

    21. 2-({4-[(1z)-4-chloro-1,2-diphenylbut-1-en-1-yl]phenyl}oxy)-n,n-dimethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate (salt)

    22. Cas-89778-27-8

    23. Ccris 6719

    24. Unii-2498y783qt

    25. 2-[p-[(z)-4-chloro-1,2-diphenyl-1-butenyl]phenoxy]-n,n-dimethylethylamine Citrate (1:1)

    26. Cpd000469213

    27. Schembl4564

    28. (z)-4-chloro-1,2-diphenyl-1-(4-(2-(n,n-dimethylamino)ethoxy)phenyl)-1-butene Citrate (1:1)

    29. Mls001306432

    30. Mls006011608

    31. Chebi:9636

    32. Toremifene Citrate [mi]

    33. Chembl1200675

    34. Dtxsid2021367

    35. Toremifene Citrate (jan/usan)

    36. Toremifene Citrate [jan]

    37. Hms2052c03

    38. Hms2230p09

    39. Hms3264l11

    40. Pharmakon1600-01505682

    41. Toremifene Citrate [vandf]

    42. Toremifene Citrate [mart.]

    43. Hy-b0005

    44. Toremifene Citrate [who-dd]

    45. Tox21_111877

    46. Tox21_301740

    47. Mfcd01729016

    48. Nsc759190

    49. S1776

    50. Akos015888270

    51. Ac-1985

    52. Ccg-101072

    53. Cs-1272

    54. Ks-5242

    55. Nc00322

    56. Nsc-759190

    57. 2-[4-[(z)-4-chloro-1,2-diphenyl-but-1-enyl]phenoxy]-n,n-dimethyl-ethanamine; Citric Acid

    58. Toremifene Citrate [orange Book]

    59. Ncgc00255310-01

    60. 2-[4-[(z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-n,n-dimethylethanamine; 2-hydroxypropane-1,2,3-tricarboxylic Acid

    61. Smr004703372

    62. Toremifene Citrate Salt, >=98% (hplc)

    63. Sw197702-3

    64. T2832

    65. D00967

    66. 778t267

    67. A843307

    68. Sr-01000763502-3

    69. Q27253831

    70. 2-[p-[(z)-4-chloro-1,n- Dimethylethylamine Citrate (1:1)

    71. (z)-2-[4-(4-chloro-1,2-diphenyl-1-butenyl)phenoxy]-n,n-dimethylethanamine Citrate

    72. (z)-2-[4-(4-chloro-1,n- Dimethylethanamine, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

    73. (z)-4-chloro-1-(4-dimethylaminoethoxyphenyl)-1,2-diphenyl-1-butene Citrate

    74. (z)-2-(4-(4-chloro-1,2-diphenylbut-1-en-1-yl)phenoxy)-n,n-dimethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate

    75. (z)-2-(4-(4-chloro-1,2-diphenylbut-1-enyl)phenoxy)-n,n-dimethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate

    76. 2-[4-[(z)-4-chloranyl-1,2-diphenyl-but-1-enyl]phenoxy]-n,n-dimethyl-ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylic Acid

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 598.1 g/mol
    Molecular Formula C32H36ClNO8
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count14
    Exact Mass597.2129448 g/mol
    Monoisotopic Mass597.2129448 g/mol
    Topological Polar Surface Area145 Ų
    Heavy Atom Count42
    Formal Charge0
    Complexity710
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Drug and Medication Information
    4.1 Drug Indication

    First line hormone treatment of hormone-dependent metastatic breast cancer in postmenopausal patients.

    Fareston is not recommended for patients with estrogen receptor negative tumours.

    5 Pharmacology and Biochemistry
    5.1 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.)

    Bone Density Conservation Agents

    Agents that inhibit BONE RESORPTION and/or favor BONE MINERALIZATION and BONE REGENERATION. They are used to heal BONE FRACTURES and to treat METABOLIC BONE DISEASES such as OSTEOPOROSIS. (See all compounds classified as Bone Density Conservation Agents.)

    Selective Estrogen Receptor Modulators

    A structurally diverse group of compounds distinguished from ESTROGENS by their ability to bind and activate ESTROGEN RECEPTORS but act as either an agonist or antagonist depending on the tissue type and hormonal milieu. They are classified as either first generation because they demonstrate estrogen agonist properties in the ENDOMETRIUM or second generation based on their patterns of tissue specificity. (Horm Res 1997;48:155-63) (See all compounds classified as Selective Estrogen Receptor Modulators.)

    5.2 FDA Pharmacological Classification
    5.2.1 Pharmacological Classes
    Selective Estrogen Receptor Modulators [MoA]; Estrogen Agonist/Antagonist [EPC]
    5.3 ATC Code

    L02BA02

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