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    Butofilolol

    INTERMEDIATES

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Cafide, 58930-32-8, 64552-17-6, 1-[2-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-5-fluorophenyl]-1-butanone, Butofilolol [inn], Cm-6805
    Molecular Formula
    C17H26FNO3
    Molecular Weight
    311.4  g/mol
    InChI Key
    NMBNQRJDEPOXCP-UHFFFAOYSA-N
    FDA UNII
    4AZC6Y5A8G
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-fluorophenyl]butan-1-one
    2.1.2 InChI
    InChI=1S/C17H26FNO3/c1-5-6-15(21)14-9-12(18)7-8-16(14)22-11-13(20)10-19-17(2,3)4/h7-9,13,19-20H,5-6,10-11H2,1-4H3
    2.1.3 InChI Key
    NMBNQRJDEPOXCP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCC(=O)C1=C(C=CC(=C1)F)OCC(CNC(C)(C)C)O
    2.2 Other Identifiers
    2.2.1 UNII
    4AZC6Y5A8G
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Butofilolol, (+-)-isomer

    2. Cafide

    3. Cm 6805

    4. Cm-6805

    2.3.2 Depositor-Supplied Synonyms

    1. Cafide

    2. 58930-32-8

    3. 64552-17-6

    4. 1-[2-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-5-fluorophenyl]-1-butanone

    5. Butofilolol [inn]

    6. Cm-6805

    7. 4azc6y5a8g

    8. 1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-fluorophenyl]butan-1-one

    9. 1-(2-(3-(tert-butylamino)-2-hydroxypropoxy)-5-fluorophenyl)butan-1-one

    10. (+/-)-2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-fluorobutyrophenone

    11. 2'-(3-(tert-butylamino)-2-hydroxypropoxy)-5'-fluorobutyrophenone

    12. 1-{2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-fluorophenyl}butan-1-one

    13. 1-butanone, 1-(2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-5-fluorophenyl)-

    14. Unii-4azc6y5a8g

    15. Butofilololum [inn-latin]

    16. Einecs 261-502-5

    17. Cm 6805

    18. Butofilolol [mi]

    19. Butofilolol [mart.]

    20. Schembl78268

    21. Chembl157443

    22. Dtxsid30867082

    23. Chebi:135327

    24. Bbl101859

    25. Mfcd00864575

    26. Stl555656

    27. Akos007930875

    28. Hy-w096097

    29. As-73617

    30. Cs-0147735

    31. L013404

    32. Sr-01000945082

    33. Q5002736

    34. Sr-01000945082-1

    35. 1-{2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-fluorophenyl}-1-butanone

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 311.4 g/mol
    Molecular Formula C17H26FNO3
    XLogP32.9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count9
    Exact Mass311.18967185 g/mol
    Monoisotopic Mass311.18967185 g/mol
    Topological Polar Surface Area58.6 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity343
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Adrenergic beta-Antagonists

    Drugs that bind to but do not activate beta-adrenergic receptors thereby blocking the actions of beta-adrenergic agonists. Adrenergic beta-antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches, and anxiety. (See all compounds classified as Adrenergic beta-Antagonists.)