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    Droloxifene

    ACTIVE PHARMA INGREDIENTS

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    2D Structure
    Also known as: 97752-20-0, Droloxifene citrate [usan], Droloxifenecitrate, 6km138nw4b, K-060e, Droloxifene citrate (usan)
    Molecular Formula
    C32H37NO9
    Molecular Weight
    579.6  g/mol
    InChI Key
    GTJXPMSTODOYNP-BTKVJIOYSA-N
    FDA UNII
    6KM138NW4B
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol;2-hydroxypropane-1,2,3-tricarboxylic acid
    2.1.2 InChI
    InChI=1S/C26H29NO2.C6H8O7/c1-4-25(20-9-6-5-7-10-20)26(22-11-8-12-23(28)19-22)21-13-15-24(16-14-21)29-18-17-27(2)3;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-16,19,28H,4,17-18H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25+;
    2.1.3 InChI Key
    GTJXPMSTODOYNP-BTKVJIOYSA-N
    2.1.4 Canonical SMILES
    CCC(=C(C1=CC=C(C=C1)OCCN(C)C)C2=CC(=CC=C2)O)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
    2.1.5 Isomeric SMILES
    CC/C(=C(/C1=CC=C(C=C1)OCCN(C)C)\C2=CC(=CC=C2)O)/C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    6KM138NW4B
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3-hydroxytamoxifen

    2. 3-hydroxytamoxifen Citrate

    3. Droloxifene

    4. Fk 435

    5. Fk-435

    6. Fk435

    7. Meta-hydroxytamoxifen

    2.3.2 Depositor-Supplied Synonyms

    1. 97752-20-0

    2. Droloxifene Citrate [usan]

    3. Droloxifenecitrate

    4. 6km138nw4b

    5. K-060e

    6. Droloxifene Citrate (usan)

    7. Phenol, 3-(1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenyl-1-butenyl)-, (e)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt)

    8. 3-hydroxytamoxifen Citrate

    9. 3-[(e)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol;2-hydroxypropane-1,2,3-tricarboxylic Acid

    10. Einecs 307-782-5

    11. Unii-6km138nw4b

    12. Schembl4192

    13. (e)-1-(4'-(2-dimethylaminoethoxy)phenyl)-1-(3-hydroxyphenyl)-2-phenylbut-1-ene Citrate

    14. (e)-alpha-(p-(2-(dimethylamino)ethoxy)phenyl)-alpha'-ethyl-3-stilbenol Citrate (1:1) (salt)

    15. (e)-alpha-(para-(2-(dimethylamino)ethoxy)phenyl)-alpha'-ethyl-3-stilbenol Citrate (iupac)

    16. Trans-1-(4-beta-dimethylaminoethoxyphenyl)-1-(3-hydroxyphenyl)-2-phenylbut-1-ene Citrate

    17. Chembl2105786

    18. Droloxifene Citrate [mi]

    19. (e)-(2-(4-(1-(3-hydroxyphenyl)-2-phenylbut-1-enyl)phenoxy)ethyl)dimethylammonium Dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate

    20. D03912

    21. Q27265061

    22. (e)-.alpha.-(p-(2-(dimethylamino)ethoxy)phenyl)-.alpha.'-ethyl-3-stilbenol Citrate (1:1) (salt)

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 579.6 g/mol
    Molecular Formula C32H37NO9
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count13
    Exact Mass579.24683176 g/mol
    Monoisotopic Mass579.24683176 g/mol
    Topological Polar Surface Area165 Ų
    Heavy Atom Count42
    Formal Charge0
    Complexity728
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antioxidants

    Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues. (See all compounds classified as Antioxidants.)

    Antineoplastic Agents

    Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)

    Estrogen Antagonists

    Compounds which inhibit or antagonize the action or biosynthesis of estrogenic compounds. (See all compounds classified as Estrogen Antagonists.)