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    Flestolol Sulfate

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    2D Structure
    Also known as: Flestolol sulfate [usan], Flestolol sulphate, Acc-9089, 88844-73-9, T5mwt8445u, Acc-9089-005
    Molecular Formula
    C15H24FN3O8S
    Molecular Weight
    425.4  g/mol
    InChI Key
    QLCLNERFMKNCBZ-UHFFFAOYSA-N
    FDA UNII
    T5MWT8445U
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [3-[[1-(carbamoylamino)-2-methylpropan-2-yl]amino]-2-hydroxypropyl] 2-fluorobenzoate;sulfuric acid
    2.1.2 InChI
    InChI=1S/C15H22FN3O4.H2O4S/c1-15(2,9-18-14(17)22)19-7-10(20)8-23-13(21)11-5-3-4-6-12(11)16;1-5(2,3)4/h3-6,10,19-20H,7-9H2,1-2H3,(H3,17,18,22);(H2,1,2,3,4)
    2.1.3 InChI Key
    QLCLNERFMKNCBZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(CNC(=O)N)NCC(COC(=O)C1=CC=CC=C1F)O.OS(=O)(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    T5MWT8445U
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Acc 9089

    2. Acc-9089

    3. Flestolol

    2.3.2 Depositor-Supplied Synonyms

    1. Flestolol Sulfate [usan]

    2. Flestolol Sulphate

    3. Acc-9089

    4. 88844-73-9

    5. T5mwt8445u

    6. Acc-9089-005

    7. Flestolol Sulfate (usan)

    8. Benzoic Acid, 2-fluoro-, 3-((2-((aminocarbonyl)amino)-1,1-dimethylethyl)amino)-2-hydroxypropyl Ester, (+-)-, Sulfate (1:1) (salt)

    9. Acc 9089

    10. Unii-t5mwt8445u

    11. Schembl611922

    12. Chembl1742474

    13. Flestolol Sulfate [mart.]

    14. Dtxsid801008524

    15. O-fluorobenzoic Acid, 3-ester With (+-)-(2-((2,3-dihydroxypropyl)amino)-2-methylpropyl)urea, Sulfate (1:1) (salt)

    16. D04190

    17. Q27289702

    18. [3-[[1-(carbamoylamino)-2-methylpropan-2-yl]amino]-2-hydroxypropyl] 2-fluorobenzoate;sulfuric Acid

    19. Benzoic Acid, 2-fluoro-, 3-((2-((aminocarbonyl)amino)-1,1-dimethylethyl)amino)-2-hydroxypropyl Ester, (+/-)-, Sulfate (1:1) (salt)

    20. N-[2-({3-[(2-fluorobenzoyl)oxy]-2-hydroxypropyl}amino)-2-methylpropyl]carbamimidic Acid--sulfuric Acid (1/1)

    21. O-fluorobenzoic Acid, 3-ester With (+/-)-(2-((2,3-dihydroxypropyl)amino)-2-methylpropyl)urea, Sulfate (1:1) (salt)

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 425.4 g/mol
    Molecular Formula C15H24FN3O8S
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count9
    Exact Mass425.12681407 g/mol
    Monoisotopic Mass425.12681407 g/mol
    Topological Polar Surface Area197 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity488
    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.)