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    Technical details about Lomifylline, learn more about the structure, uses, toxicity, action, side effects and more

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    Lomifylline

    ACTIVE PHARMA INGREDIENTS

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    2D Structure
    Also known as: 10226-54-7, 1,3-dimethyl-7-(5-oxohexyl)-1h-purine-2,6(3h,7h)-dione, Lomifylline [inn], 7-(5-oxohexyl)theophylline, 1,3-dimethyl-7-(5-oxohexyl)purine-2,6-dione, Na91gv8gdj
    Molecular Formula
    C13H18N4O3
    Molecular Weight
    278.31  g/mol
    InChI Key
    XBEDAMVJWVPVDS-UHFFFAOYSA-N
    FDA UNII
    NA91GV8GDJ
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1,3-dimethyl-7-(5-oxohexyl)purine-2,6-dione
    2.1.2 InChI
    InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-8-14-11-10(17)12(19)16(3)13(20)15(11)2/h8H,4-7H2,1-3H3
    2.1.3 InChI Key
    XBEDAMVJWVPVDS-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C
    2.2 Other Identifiers
    2.2.1 UNII
    NA91GV8GDJ
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Cervilane

    2.3.2 Depositor-Supplied Synonyms

    1. 10226-54-7

    2. 1,3-dimethyl-7-(5-oxohexyl)-1h-purine-2,6(3h,7h)-dione

    3. Lomifylline [inn]

    4. 7-(5-oxohexyl)theophylline

    5. 1,3-dimethyl-7-(5-oxohexyl)purine-2,6-dione

    6. Na91gv8gdj

    7. Lomifilina

    8. Lomifyllinum

    9. Smr000466379

    10. Unii-na91gv8gdj

    11. Lomifilina [inn-spanish]

    12. Lomifyllinum [inn-latin]

    13. Einecs 233-547-0

    14. Lomifylline [mart.]

    15. Lomifylline [who-dd]

    16. Mls000759512

    17. Mls001424104

    18. Chembl311948

    19. Schembl1649451

    20. Chebi:94702

    21. Dtxsid10144848

    22. Hms2051p03

    23. Hms3393p03

    24. 1,2,3,6-tetrahydro-1,3-dimethyl-7-(5-oxohexyl)purin-2,6-dion

    25. Zinc2020029

    26. 7-(5-oxohexyl)-1,3-dimethylxanthine

    27. Akos016013999

    28. Ccg-100918

    29. Nc00168

    30. Sb67404

    31. 1,3-dimethyl-7-(5-oxohexyl)-xanthine

    32. 7-(5-keto-hexyl)-1,3-dimethylxanthine

    33. Ncgc00246970-01

    34. Ft-0630377

    35. L-a-amino-g-guanidinobutyricacidhydrochloride

    36. Q27166504

    37. 1,3-dimethyl-7-(5-oxo-hexyl)-3,7-dihydro-purine-2,6-dione

    38. 1,3-dimethyl-7-(5-oxohexyl)-3,7-dihydro-1h-purine-2,6-dione

    39. 3,7-dihydro-1,3-dimethyl-7-(5-oxohexyl)-1h-purine-2,6-dione

    40. Purin-2,6-dione, 1,2,3,6-tetrahydro-1,3-dimethyl-7-(5-oxohexyl)-

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 278.31 g/mol
    Molecular Formula C13H18N4O3
    XLogP3-0.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count5
    Exact Mass278.13789045 g/mol
    Monoisotopic Mass278.13789045 g/mol
    Topological Polar Surface Area75.5 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity426
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1