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    Fispemifene

    PharmaCompass
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    2D Structure
    Also known as: 341524-89-8, Hm-101, Hm-101a, 3vz2833v08, (z)-2-(2-(4-(4-chloro-1,2-diphenylbut-1-en-1-yl)phenoxy)ethoxy)ethan-1-ol, (z)-2-(2-(4-(4-chloro-1,2-diphenylbut-1-en-1-yl)phenoxy)ethoxy)ethanol
    Molecular Formula
    C26H27ClO3
    Molecular Weight
    422.9  g/mol
    InChI Key
    NKZTZAQIKKGTDB-QPLCGJKRSA-N
    FDA UNII
    3VZ2833V08
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethoxy]ethanol
    2.1.2 InChI
    InChI=1S/C26H27ClO3/c27-16-15-25(21-7-3-1-4-8-21)26(22-9-5-2-6-10-22)23-11-13-24(14-12-23)30-20-19-29-18-17-28/h1-14,28H,15-20H2/b26-25-
    2.1.3 InChI Key
    NKZTZAQIKKGTDB-QPLCGJKRSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)C3=CC=C(C=C3)OCCOCCO)CCCl
    2.1.5 Isomeric SMILES
    C1=CC=C(C=C1)/C(=C(/C2=CC=CC=C2)\C3=CC=C(C=C3)OCCOCCO)/CCCl
    2.2 Other Identifiers
    2.2.1 UNII
    3VZ2833V08
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (z)-2-(2-(4-(4-chloro-1,2-diphenylbut-1-enyl)phenoxy)ethoxy)ethanol

    2.3.2 Depositor-Supplied Synonyms

    1. 341524-89-8

    2. Hm-101

    3. Hm-101a

    4. 3vz2833v08

    5. (z)-2-(2-(4-(4-chloro-1,2-diphenylbut-1-en-1-yl)phenoxy)ethoxy)ethan-1-ol

    6. (z)-2-(2-(4-(4-chloro-1,2-diphenylbut-1-en-1-yl)phenoxy)ethoxy)ethanol

    7. 2-(2-(4-((1z)-4-chloro-1,2-diphenylbut-1-enyl)phenoxy)ethoxy)ethanol

    8. 2-[2-[4-[(z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethoxy]ethanol

    9. Ethanol, 2-(2-(4-((1z)-4-chloro-1,2-diphenyl-1-butenyl)phenoxy)ethoxy)-

    10. 2-(2-{4-((1z)-4-chloro-1,2-diphenylbut-1-enyl)phenoxy}ethoxy)ethanol

    11. Fispemifene [inn]

    12. Fispemifene (usan/inn)

    13. Fispemifene [usan:inn]

    14. Fispemifene [usan]

    15. Schembl945795

    16. Chembl2107341

    17. Unii-3vz2833v08

    18. Dtxsid90870330

    19. Chebi:177597

    20. Db06640

    21. D10008

    22. Q27258105

    23. (z)-2-(2-(4-(4-chloro-1,2-diphenylbut-1-enyl)phenoxy)ethoxy)ethanol

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 422.9 g/mol
    Molecular Formula C26H27ClO3
    XLogP36.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count11
    Exact Mass422.1648724 g/mol
    Monoisotopic Mass422.1648724 g/mol
    Topological Polar Surface Area38.7 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity487
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    Investigated for use/treatment in male hormonal deficiencies/abnormalities.