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    Nafoxidine

    INTERMEDIATES

    PharmaCompass
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    2D Structure
    Also known as: 1845-11-0, Nafoxidine [inn], Nafoxidinum [inn-latin], Nafoxidina [inn-spanish], 1-[2-[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine, U-11000a
    Molecular Formula
    C29H31NO2
    Molecular Weight
    425.6  g/mol
    InChI Key
    JEYWNNAZDLFBFF-UHFFFAOYSA-N
    FDA UNII
    4RIY10WM82
    An estrogen antagonist that has been used in the treatment of breast cancer.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[2-[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine
    2.1.2 InChI
    InChI=1S/C29H31NO2/c1-31-26-14-16-28-24(21-26)11-15-27(22-7-3-2-4-8-22)29(28)23-9-12-25(13-10-23)32-20-19-30-17-5-6-18-30/h2-4,7-10,12-14,16,21H,5-6,11,15,17-20H2,1H3
    2.1.3 InChI Key
    JEYWNNAZDLFBFF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC2=C(C=C1)C(=C(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)OCCN5CCCC5
    2.2 Other Identifiers
    2.2.1 UNII
    4RIY10WM82
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Hydrochloride, Nafoxidine

    2. Nafoxidine Hydrochloride

    3. U 11,100a

    4. U 11000a

    5. U-11,100a

    6. U-11000a

    7. U11,100a

    8. U11000a

    2.3.2 Depositor-Supplied Synonyms

    1. 1845-11-0

    2. Nafoxidine [inn]

    3. Nafoxidinum [inn-latin]

    4. Nafoxidina [inn-spanish]

    5. 1-[2-[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine

    6. U-11000a

    7. Pyrrolidine, 1-(2-(4-(3,4-dihydro-6-methoxy-2-phenyl-1-naphthalenyl)phenoxy)ethyl)-

    8. Chembl28211

    9. 4riy10wm82

    10. Chebi:34881

    11. Nsc 70735

    12. 1-(2-(p-(3,4-dihydro-6-methoxy-2-phenyl-1-naphthyl)phenoxy)ethyl)pyrrolidine

    13. 1-(2-(4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy)ethyl)pyrrolidine

    14. 1-{2-[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl}pyrrolidine

    15. Pyrrolidine, 1-(2-(p-(3,4-dihydro-6-methoxy-2-phenyl-1-naphthyl)phenoxy)ethyl)-

    16. Pyrrolidine,1-[2-[4-(3,4-dihydro-6-methoxy-2-phenyl-1-naphthalenyl)phenoxy]ethyl]-

    17. Nafoxidina

    18. Nafoxidinum

    19. Nsc70735

    20. Brn 1440873

    21. Unii-4riy10wm82

    22. Spectrum5_000222

    23. Nafoxidine [who-dd]

    24. 5-20-01-00210 (beilstein Handbook Reference)

    25. Bidd:er0063

    26. Schembl153125

    27. 11100a (*hydrochloride*)

    28. Gtpl4263

    29. Dtxsid7022386

    30. U 11100 (*hydrochloride*)

    31. U 11100a (*hydrochloride*)

    32. U-11100a (*hydrochloride*)

    33. Zinc538045

    34. Bdbm50065941

    35. Ncgc00188970-01

    36. 845n110

    37. Q6958201

    38. 1-(2-(4-(3,4-dihydro-6-methoxy-2-phenyl-1-naphthalenyl)phenoxy)ethyl)pyrrolidine

    39. 1-(2-[4-(6-methoxy-2-phenyl-3,4-dihydro-1-naphthalenyl)phenoxy]ethyl)pyrrolidine #

    40. 1-{2-[4-(6-methoxy-2-phenyl-3,4-dihydro-naphthalen-1-yl)-phenoxy]-ethyl}-pyrrolidine

    2.4 Create Date
    2005-03-25
    3 Chemical and Physical Properties
    Molecular Weight 425.6 g/mol
    Molecular Formula C29H31NO2
    XLogP35.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count7
    Exact Mass425.235479232 g/mol
    Monoisotopic Mass425.235479232 g/mol
    Topological Polar Surface Area21.7 Ų
    Heavy Atom Count32
    Formal Charge0
    Complexity611
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    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.)

    Estrogen Antagonists

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