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

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    Oxtriphylline

    ACTIVE PHARMA INGREDIENTS

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    2D Structure
    Also known as: Choline theophyllinate, 4499-40-5, Cholinophyllin, Choledyl, Choline theophylline, Theocolin
    Molecular Formula
    C12H21N5O3
    Molecular Weight
    283.33  g/mol
    InChI Key
    SOELXOBIIIBLRJ-UHFFFAOYSA-M
    FDA UNII
    3K045XR58X
    Oxtriphylline is the choline salt of theophylline with an anti-asthmatic property. Oxtriphylline appears to inhibit phosphodiesterase and prostaglandin production, regulates calcium flux and intracellular calcium distribution, and antagonizes adenosine. Physiologically, this agent causes relaxation of bronchial smooth muscle, produces vasodilation (except in cerebral vessels), stimulates cardiac muscle, as well as induces diuresis and gastric acid secretion. It may also suppress inflammation and improve contractility of the diaphragm.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1,3-dimethyl-2-oxopurin-6-olate;2-hydroxyethyl(trimethyl)azanium
    2.1.2 InChI
    InChI=1S/C7H8N4O2.C5H14NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-6(2,3)4-5-7/h3,12H,1-2H3;7H,4-5H2,1-3H3/q;+1/p-1
    2.1.3 InChI Key
    SOELXOBIIIBLRJ-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    CN1C(=C2C(=NC=N2)N(C1=O)C)[O-].C[N+](C)(C)CCO
    2.2 Other Identifiers
    2.2.1 UNII
    3K045XR58X
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Brondaxin

    2. Brondecon

    3. Choledyl

    4. Choledyl-sa

    5. Choline Theophyllinate

    6. Cholinetheophyllinate

    7. Cholinophyllin

    8. Euspirax

    9. Oxtripylline-sa

    10. Theobret

    2.3.2 Depositor-Supplied Synonyms

    1. Choline Theophyllinate

    2. 4499-40-5

    3. Cholinophyllin

    4. Choledyl

    5. Choline Theophylline

    6. Theocolin

    7. Choline Salt With Theophylline (1:1)

    8. Oxtriphylline [usp]

    9. 146-71-4

    10. Nsc-760431

    11. Choline Theophyllinate [inn]

    12. 1,3-dimethyl-2-oxopurin-6-olate;2-hydroxyethyl(trimethyl)azanium

    13. 3k045xr58x

    14. Oxtriphylline (usp)

    15. Choline Theophylline (jan)

    16. Choline Theophyllinate (inn)

    17. Cholinophylline

    18. Oxtrimethylline

    19. Soliphylline

    20. Teofilcolina

    21. Theoxylline

    22. Cholegyl

    23. Choline Theophylline [jan]

    24. Filoral

    25. Sabidal

    26. Teokolin

    27. 2-hydroxy-n,n,n-trimethylethanaminium 1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurin-7-ide

    28. Colina Teofillinato

    29. Ethanaminium, 2-hydroxy-n,n,n-trimethyl-, Salt With 3,7-dihydro-1,3-dimethyl-1h-purine-2,6-dione

    30. Cholini Theophyllinas

    31. Choledyl Sa 400

    32. Teofilinato De Colina

    33. Theophylline Cholinate

    34. Oxtriphylline Pediatric

    35. Choline Theophylline Salt

    36. Theophyllinate De Choline

    37. Colina Teofillinato [dcit]

    38. Theophylline Salt Of Choline

    39. Unii-3k045xr58x

    40. Cholintheophyllinat

    41. Theophylline, Compd. With Choline

    42. Cholini Theophyllinas [inn-latin]

    43. Theocolin (tn)

    44. Einecs 224-798-7

    45. Teofilinato De Colina [inn-spanish]

    46. Zy 15061

    47. Choline Thieophyllinate

    48. Theophyllinate De Choline [inn-french]

    49. Theophyline And Choline

    50. Choline, Compd. With Theophylline (1:1)

    51. Schembl4629

    52. Oxtriphylline [vandf]

    53. Schembl152854

    54. Oxtriphylline [usp-rs]

    55. Chembl1200434

    56. Dtxsid20894867

    57. (2-hydroxyethyl)trimethylammonium Compound With Theophylline

    58. Hms2094a07

    59. Pharmakon1600-01505759

    60. Choline Theophyllinate [mi]

    61. Oxtriphylline [orange Book]

    62. Hy-b1718

    63. Nsc760431

    64. Oxtriphylline [usp Monograph]

    65. Akos025392171

    66. Choline Theophyllinate [mart.]

    67. Ccg-213695

    68. Choline Theophyllinate [who-dd]

    69. Db01303

    70. Ks-1426

    71. Nsc 760431

    72. Ethanaminium, 2-hydroxy-n,n,n-trimethyl-, Salt With 3,7-dihydro-1,3-dimethylpurine-2,6-dione

    73. 1h-purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, Ion(1-), 2-hydroxy-n,n,n-trimethylethanaminium

    74. Ethanaminium, 2-hydroxy-n,n,n-trimethyl-, Salt With 3,7-dihydro-1,3-dimethyl-1h-purine-2,6-dione (1:1)

    75. Cs-0013721

    76. D02017

    77. Choline, Hydroxide, Compd. With Theophylline (1:1)

    78. Q5104342

    79. Ethanaminium, 2-hydroxy-n,n,n-trimethyl-, Salt With 3,9-dihydro-1,3-dimethyl-1h-purine-2,6-dione (1:1)

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 283.33 g/mol
    Molecular Formula C12H21N5O3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass283.16443955 g/mol
    Monoisotopic Mass283.16443955 g/mol
    Topological Polar Surface Area91.6 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity415
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Drug and Medication Information
    4.1 Drug Indication

    Used to treat the symptoms of asthma, bronchitis, COPD, and emphysema.

    5 Pharmacology and Biochemistry
    5.1 Pharmacology

    Oxtriphylline is a bronchodilator. Oxtriphylline works in several ways: it relaxes muscles in your lungs and chest to allow more air in, decreases the sensitivity of your lungs to allergens and other substances that cause inflammation, and increases the contractions of your diaphragm to draw more air into the lungs.

    5.2 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.)

    5.3 ATC Code

    R - Respiratory system

    R03 - Drugs for obstructive airway diseases

    R03D - Other systemic drugs for obstructive airway diseases

    R03DA - Xanthines

    R03DA02 - Choline theophyllinate

    5.4 Absorption, Distribution and Excretion

    Absorption

    After ingestion, theophylline is released from oxytriphylline in the acidic environment of the stomach.

    Route of Elimination

    The kidneys are the main route of elimination for both theophylline and its metabolites, but some unchanged theophylline is eliminated in the feces.

    Volume of Distribution

    Theophylline has an apparent volume of distribution of 0.30.7 L/kg in children and adults, and the Vd is about twice that of an adult in premature infants.

    Clearance

    Theophylline has an average clearance in children (over 6 months) of 1.45 mL/kg per minute, and in healthy, nonsmoking adults of 0.65 mL/kg per hour.

    5.5 Metabolism/Metabolites

    Theophylline undergoes hepatic metabolism to 1,3-dimethyluric acid, 1-methyluric acid, and 3-methylxanthine.

    5.6 Biological Half-Life

    The serum half life varies greatly between patients and in age. The half life range for a healthy, nonsmoking adult is 3-12.8 hours, for children is 1.59.5 hours, and for for premature infants is 1558 hours.

    5.7 Mechanism of Action

    Oxtriphylline is a choline salt of theophylline. After ingestion, theophylline is released from oxytriphylline, and theophylline relaxes the smooth muscle of the bronchial airways and pulmonary blood vessels and reduces airway responsiveness to histamine, methacholine, adenosine, and allergen. Theophylline competitively inhibits type III and type IV phosphodiesterase (PDE), the enzyme responsible for breaking down cyclic AMP in smooth muscle cells, possibly resulting in bronchodilation. Theophylline also binds to the adenosine A2B receptor and blocks adenosine mediated bronchoconstriction. In inflammatory states, theophylline activates histone deacetylase to prevent transcription of inflammatory genes that require the acetylation of histones for transcription to begin.