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    Bucindolol Hydrochloride

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    2D Structure
    Also known as: 70369-47-0, Gencaro, Bucindolol hcl, Bucindolol hydrochloride [usan], O-(2-hydroxy-3-((2-indol-3-yl-1,1-dimethylethyl)amino)propoxy)benzonitrile monohydrochloride, Mj 13,105-1
    Molecular Formula
    C22H26ClN3O2
    Molecular Weight
    399.9  g/mol
    InChI Key
    NCEAPFRHADKEHP-UHFFFAOYSA-N
    FDA UNII
    SH683G4QII
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[2-hydroxy-3-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]propoxy]benzonitrile;hydrochloride
    2.1.2 InChI
    InChI=1S/C22H25N3O2.ClH/c1-22(2,11-17-13-24-20-9-5-4-8-19(17)20)25-14-18(26)15-27-21-10-6-3-7-16(21)12-23;/h3-10,13,18,24-26H,11,14-15H2,1-2H3;1H
    2.1.3 InChI Key
    NCEAPFRHADKEHP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(CC1=CNC2=CC=CC=C21)NCC(COC3=CC=CC=C3C#N)O.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    SH683G4QII
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Bucindolol

    2. Mj 13105

    2.3.2 Depositor-Supplied Synonyms

    1. 70369-47-0

    2. Gencaro

    3. Bucindolol Hcl

    4. Bucindolol Hydrochloride [usan]

    5. O-(2-hydroxy-3-((2-indol-3-yl-1,1-dimethylethyl)amino)propoxy)benzonitrile Monohydrochloride

    6. Mj 13,105-1

    7. Bucindolol (hydrochloride)

    8. Sh683g4qii

    9. 2-(2-hydroxy-3-((2-(3-indolyl)-1,1-dimethylethyl)amino)propoxy)benzonitrile Hydrochloride

    10. 70369-47-0 (hcl)

    11. Mj-13105-1

    12. Benzonitrile, 2-(2-hydroxy-3-((2-(1h-indol-3-yl)-1,1-dimethylethyl)amino)propoxy)-, Monohydrochloride

    13. Bucindolol Hydrochloride (usan)

    14. Unii-sh683g4qii

    15. Mj 13105-1

    16. 2-[2-hydroxy-3-[[2-(3-indolyl)-1,1-dimethylethyl]amino]propoxy]benzonitrile Hydrochloride

    17. Schembl124403

    18. Chembl2107546

    19. Dtxsid50990563

    20. Bucindolol Hydrochloride [mi]

    21. Akos030242702

    22. Sb16899

    23. Bucindolol Hydrochloride [mart.]

    24. Bucindolol Hydrochloride [who-dd]

    25. D03170

    26. Q27289211

    27. 2-(2-hydroxy-3-{[1-(1h-indol-3-yl)-2-methylpropan-2-yl]amino}propoxy)benzonitrile--hydrogen Chloride (1/1)

    28. 2-[2-hydroxy-3-[[1-(1h-indol-3-yl)-2-methylpropan-2-yl]amino]propoxy]benzonitrile;hydrochloride

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 399.9 g/mol
    Molecular Formula C22H26ClN3O2
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count8
    Exact Mass399.1713548 g/mol
    Monoisotopic Mass399.1713548 g/mol
    Topological Polar Surface Area81.1 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity515
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    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.)

    Sympathomimetics

    Drugs that mimic the effects of stimulating postganglionic adrenergic sympathetic nerves. Included here are drugs that directly stimulate adrenergic receptors and drugs that act indirectly by provoking the release of adrenergic transmitters. (See all compounds classified as Sympathomimetics.)

    Vasodilator Agents

    Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)

    Adrenergic alpha-1 Receptor Antagonists

    Drugs that bind to and block the activation of ADRENERGIC ALPHA-1 RECEPTORS. (See all compounds classified as Adrenergic alpha-1 Receptor Antagonists.)