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    5-Hydroxypropafenone

    ANALYTICAL

    PharmaCompass
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    2D Structure
    Also known as: 86384-10-3, 5-hydroxy propafenone, Gpv-129, 7ac8bf38np, Chembl1264, 1-[5-hydroxy-2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one
    Molecular Formula
    C21H27NO4
    Molecular Weight
    357.4  g/mol
    InChI Key
    LUTWDNUXHDYZRA-UHFFFAOYSA-N
    FDA UNII
    7AC8BF38NP
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[5-hydroxy-2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one
    2.1.2 InChI
    InChI=1S/C21H27NO4/c1-2-12-22-14-18(24)15-26-21-11-9-17(23)13-19(21)20(25)10-8-16-6-4-3-5-7-16/h3-7,9,11,13,18,22-24H,2,8,10,12,14-15H2,1H3
    2.1.3 InChI Key
    LUTWDNUXHDYZRA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCNCC(COC1=C(C=C(C=C1)O)C(=O)CCC2=CC=CC=C2)O
    2.2 Other Identifiers
    2.2.1 UNII
    7AC8BF38NP
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 86384-10-3

    2. 5-hydroxy Propafenone

    3. Gpv-129

    4. 7ac8bf38np

    5. Chembl1264

    6. 1-[5-hydroxy-2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one

    7. 1-propanone, 1-(5-hydroxy-2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-phenyl-

    8. Unii-7ac8bf38np

    9. 1-(5-hydroxy-2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-phenylpropan-1-one

    10. 1-{5-hydroxy-2-[2-hydroxy-3-(propylamino)propoxy]phenyl}-3-phenylpropan-1-one

    11. 1-(5-hydroxy-2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-phenyl-1-propanone

    12. Schembl2739132

    13. Chebi:171897

    14. Dtxsid701006775

    15. Bdbm50134995

    16. Akos000277050

    17. Q27266815

    18. 1-[5-hydroxy-2-(2-hydroxy-3-propylamino-propoxy)-phenyl]-3-phenyl-propan-1-one

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 357.4 g/mol
    Molecular Formula C21H27NO4
    XLogP33
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count11
    Exact Mass357.19400834 g/mol
    Monoisotopic Mass357.19400834 g/mol
    Topological Polar Surface Area78.8 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity398
    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

    Anti-Arrhythmia Agents

    Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade. (See all compounds classified as Anti-Arrhythmia Agents.)

    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.)

    4.2 Metabolism/Metabolites

    5-Hydroxypropafenone is a known human metabolite of Propafenone.

    S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560