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    Nebivolol

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    2D Structure
    Also known as: 169293-50-9, Nebivolol hcl, 2,2'-azanediylbis(1-(6-fluorochroman-2-yl)ethanol) hydrochloride, 152520-56-4, Rac nebivolol hydrochloride, R 065824 hydrochloride
    Molecular Formula
    C22H26ClF2NO4
    Molecular Weight
    441.9  g/mol
    InChI Key
    JWEXHQAEWHKGCW-UHFFFAOYSA-N
    A cardioselective ADRENERGIC BETA-1 RECEPTOR ANTAGONIST (beta-blocker) that functions as a VASODILATOR through the endothelial L-arginine/ NITRIC OXIDE system. It is used to manage HYPERTENSION and chronic HEART FAILURE in elderly patients.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]ethanol;hydrochloride
    2.1.2 InChI
    InChI=1S/C22H25F2NO4.ClH/c23-15-3-7-19-13(9-15)1-5-21(28-19)17(26)11-25-12-18(27)22-6-2-14-10-16(24)4-8-20(14)29-22;/h3-4,7-10,17-18,21-22,25-27H,1-2,5-6,11-12H2;1H
    2.1.3 InChI Key
    JWEXHQAEWHKGCW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC2=C(C=CC(=C2)F)OC1C(CNCC(C3CCC4=C(O3)C=CC(=C4)F)O)O.Cl
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 67555, R

    2. Alpha,alpha'-(iminobis(methylene))bis(6-fluoro-3,4-dihydro)-2h-1-benzopyran-2-methanol

    3. Bystolic

    4. Hydrochloride, Nebivolol

    5. Lobivon

    6. Nebilet

    7. Nebivolol

    8. R 67555

    9. R-67555

    10. R67555

    11. Silostar

    2.2.2 Depositor-Supplied Synonyms

    1. 169293-50-9

    2. Nebivolol Hcl

    3. 2,2'-azanediylbis(1-(6-fluorochroman-2-yl)ethanol) Hydrochloride

    4. 152520-56-4

    5. Rac Nebivolol Hydrochloride

    6. R 065824 Hydrochloride

    7. Nebilox

    8. Rac-nebivolol Hcl

    9. R-067555

    10. Schembl514784

    11. N-phenyliminodiaceticacid

    12. Chembl1201731

    13. Akos016006035

    14. Ac-4233

    15. Ac-5636

    16. Ccg-214847

    17. Ro67555

    18. As-12100

    19. Cs-0362720

    20. Ft-0652243

    21. Ft-0655833

    22. 520n564

    23. W-60374

    24. J-010524

    25. 1-(6-fluoro-3,4-dihydro-2h-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2h-chromen-2-yl)-2-hydroxyethyl]amino]ethanol;hydrochloride

    26. 2h-1-benzopyran-2-methanol,a,a'-[iminobis(methylene)]bis[6-fluoro-3,4-dihydro-,hydrochloride(1:1)

    27. Alpha,alpha'[iminobis(methylene)]bis[6-fluoro-3,4-dihydro-2h-1-benzopyran-2-methanol]hydrochloride

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 441.9 g/mol
    Molecular Formula C22H26ClF2NO4
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count6
    Exact Mass441.1518423 g/mol
    Monoisotopic Mass441.1518423 g/mol
    Topological Polar Surface Area71 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity483
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count4
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Adrenergic beta-1 Receptor Agonists

    Compounds that bind to and activate ADRENERGIC BETA-1 RECEPTORS. (See all compounds classified as Adrenergic beta-1 Receptor Agonists.)

    Antihypertensive Agents

    Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS. (See all compounds classified as Antihypertensive Agents.)

    Vasodilator Agents

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

    4.2 FDA Pharmacological Classification
    4.2.1 Pharmacological Classes
    beta-Adrenergic Blocker [EPC]; Adrenergic beta-Antagonists [MoA]