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    Fexuprazan

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    2D Structure
    Also known as: Fexuprazan, 1902954-60-2, Dwp14012, Dwp-14012, Be52s2c1qt, 1-[5-(2,4-difluorophenyl)-1-(3-fluorobenzene-1-sulfonyl)-4-methoxy-1h-pyrrol-3-yl]-n-methylmethanamine
    Molecular Formula
    C19H17F3N2O3S
    Molecular Weight
    410.4  g/mol
    InChI Key
    OUNXGNDVWVPCOL-UHFFFAOYSA-N
    FDA UNII
    BE52S2C1QT
    Abeprazan is under investigation in clinical trial NCT04341454 (Study to Evaluate the Efficacy and Safety of DWP14012 in Patients With Acute or Chronic Gastritis).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine
    2.1.2 InChI
    InChI=1S/C19H17F3N2O3S/c1-23-10-12-11-24(28(25,26)15-5-3-4-13(20)8-15)18(19(12)27-2)16-7-6-14(21)9-17(16)22/h3-9,11,23H,10H2,1-2H3
    2.1.3 InChI Key
    OUNXGNDVWVPCOL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CNCC1=CN(C(=C1OC)C2=C(C=C(C=C2)F)F)S(=O)(=O)C3=CC=CC(=C3)F
    2.2 Other Identifiers
    2.2.1 UNII
    BE52S2C1QT
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1h-pyrrole-3-methanamine, 5-(2,4-difluorophenyl)-1-((3-fluorophenyl)sulfonyl)-4-methoxy-n-methyl-

    2. 5-(2,4-difluorophenyl)-1-((3-fluorophenyl)sulfonyl)-4-methoxy-n-methyl-1h-pyrrole-3-methanamine

    3. Dwp-14012

    4. Dwp14012

    5. Fexuprazan

    2.3.2 Depositor-Supplied Synonyms

    1. Fexuprazan

    2. 1902954-60-2

    3. Dwp14012

    4. Dwp-14012

    5. Be52s2c1qt

    6. 1-[5-(2,4-difluorophenyl)-1-(3-fluorobenzene-1-sulfonyl)-4-methoxy-1h-pyrrol-3-yl]-n-methylmethanamine

    7. 1h-pyrrole-3-methanamine, 5-(2,4-difluorophenyl)-1-((3-fluorophenyl)sulfonyl)-4-methoxy-n-methyl-

    8. 5-(2,4-difluorophenyl)-1-((3-fluorophenyl)sulfonyl)-4-methoxy-n-methyl-1h-pyrrole-3-methanamine

    9. Abeprazan [inn]

    10. Fexuprazan [inn]

    11. Unii-be52s2c1qt

    12. Chembl4594445

    13. Schembl18196939

    14. Glxc-25721

    15. Hy-109079

    16. Cs-0039254

    17. 1-[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-n-methylmethanamine

    2.4 Create Date
    2016-12-08
    3 Chemical and Physical Properties
    Molecular Weight 410.4 g/mol
    Molecular Formula C19H17F3N2O3S
    XLogP33.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count6
    Exact Mass410.09119807 g/mol
    Monoisotopic Mass410.09119807 g/mol
    Topological Polar Surface Area68.7 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity618
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Gastrointestinal Agents

    Drugs used for their effects on the gastrointestinal system, as to control gastric acidity, regulate gastrointestinal motility and water flow, and improve digestion. (See all compounds classified as Gastrointestinal Agents.)