Please Wait
Applying Filters...
menu
    • menu
    LGM Pharma accelerates & optimizes the new product pathway from early development through commercialization.

    Virtual Booth

    Contact Supplier

    Munit offers scalable GMP micronization and particle size engineering to enhance drug solubility, bioavailability, and performance.

    Virtual Booth

    Contact Supplier

    pharmacompass-1-m-2025-11-03

    Virtual Booth

    An Enquiry

    Mission CDMO team brings reliability, resourcefulness, & responsiveness in executing your development project.

    Virtual Booth

    Contact Supplier

    Jai Radhe Sales is your partner for all your sourcing needs.

    Virtual Booth

    Contact Supplier

    pharmacompass-2-m-2025-11-03

    Virtual Booth

    An Enquiry

    Menu

    Acepifylline

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 15Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: 18833-13-1, Acefylline piperazine, 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid;piperazine, Acefylline piperazine (inn), Epicophylline (tn), Schembl5493561
    Molecular Formula
    C13H20N6O4
    Molecular Weight
    324.34  g/mol
    InChI Key
    SKKLFJHESZIVKT-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid;piperazine
    2.1.2 InChI
    InChI=1S/C9H10N4O4.C4H10N2/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15;1-2-6-4-3-5-1/h4H,3H2,1-2H3,(H,14,15);5-6H,1-4H2
    2.1.3 InChI Key
    SKKLFJHESZIVKT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O.C1CNCCN1
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Acefyllin Piperazinate

    2. Acephylline Piperazinate

    3. Acepifylline

    4. Acepiphyllin

    5. Etaphylline

    6. Minophylline

    7. Theophylline Ethanoate Of Piperazine

    2.2.2 Depositor-Supplied Synonyms

    1. 18833-13-1

    2. Acefylline Piperazine

    3. 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic Acid;piperazine

    4. Acefylline Piperazine (inn)

    5. Epicophylline (tn)

    6. Schembl5493561

    7. Akos015913776

    8. Ac-33576

    9. D07062

    10. 833a131

    11. Piperazine 2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1h-purin-7(6h)-yl)acetate

    2.3 Create Date
    2006-04-29
    3 Chemical and Physical Properties
    Molecular Weight 324.34 g/mol
    Molecular Formula C13H20N6O4
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count2
    Exact Mass324.15460314 g/mol
    Monoisotopic Mass324.15460314 g/mol
    Topological Polar Surface Area120 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity412
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Bronchodilator Agents

    Agents that cause an increase in the expansion of a bronchus or bronchial tubes. (See all compounds classified as Bronchodilator Agents.)

    4.2 ATC Code

    R - Respiratory system

    R03 - Drugs for obstructive airway diseases

    R03D - Other systemic drugs for obstructive airway diseases

    R03DA - Xanthines

    R03DA09 - Acefylline piperazine