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    Bamifylline

    ACTIVE PHARMA INGREDIENTS

    INTERMEDIATES

    FINISHED DOSAGE FORMULATIONS

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    $ API Ref.Price (USD/KG) : 59Xls

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    2D Structure
    Also known as: 20684-06-4, Bamifylline hcl, Bamiphylline hydrochloride, 8102 cb, Ac 3810, Bamifylline hydrochloride [usan]
    Molecular Formula
    C20H28ClN5O3
    Molecular Weight
    421.9  g/mol
    InChI Key
    PDBXHPORMXSXKO-UHFFFAOYSA-N
    FDA UNII
    66466QLM3S
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    8-benzyl-7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
    2.1.2 InChI
    InChI=1S/C20H27N5O3.ClH/c1-4-24(12-13-26)10-11-25-16(14-15-8-6-5-7-9-15)21-18-17(25)19(27)23(3)20(28)22(18)2;/h5-9,26H,4,10-14H2,1-3H3;1H
    2.1.3 InChI Key
    PDBXHPORMXSXKO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCN(CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=CC=CC=C3)CCO.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    66466QLM3S
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Bamifylline

    2. Bamiphylline

    3. Benzetamophylline

    4. Trentadil

    2.3.2 Depositor-Supplied Synonyms

    1. 20684-06-4

    2. Bamifylline Hcl

    3. Bamiphylline Hydrochloride

    4. 8102 Cb

    5. Ac 3810

    6. Bamifylline Hydrochloride [usan]

    7. Bax 2739z

    8. 20684-06-4 (hcl)

    9. 3736-86-5

    10. Bax-2739z

    11. 66466qlm3s

    12. 8-benzyl-7-(2-(ethyl(2-hydroxyethyl)amino)ethyl)theophylline Monohydrochloride

    13. 8-benzyl-7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride

    14. 1h-purine-2,6-dione, 7-(2-(ethyl(2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-, Monohydrochloride

    15. 8102-cb

    16. Ac-3810

    17. Trentadil

    18. Pulmac

    19. Dsstox_cid_28647

    20. Dsstox_rid_82917

    21. Dsstox_gsid_48721

    22. Bamifylline Hydrochloride (usan)

    23. Briofil

    24. Mono-hcl

    25. 8-benzyl-7-(2-(ethyl(2-hydroxyethyl)amino)ethyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione Hydrochloride

    26. Benzetamophylline Hydrochloride

    27. Cas-20684-06-4

    28. Bax 2793z

    29. Ncgc00182061-02

    30. Einecs 243-967-6

    31. Cb 8102

    32. Unii-66466qlm3s

    33. 8'-benzyl-7-(2-(ethyl(2-hydroxyethyl)amino)ethyl)theophylline Hydrochloride

    34. 8-benzyl-7-(n-ethyl-n-(beta-hydroxyethyl)aminoethyl)theophylline Hydrochloride

    35. 7-(n-(beta-hydroxyethyl)-n-ethyl)-aminoethyl-8-benzyl-theophylline Hydrochloride

    36. Schembl637064

    37. Chembl2105899

    38. Dtxsid4048721

    39. Glxc-26021

    40. Tox21_113133

    41. Bamifylline Hydrochloride [mi]

    42. Akos025392166

    43. Tox21_113133_1

    44. Ks-1411

    45. 8-benzyl-7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione Hydrochloride

    46. Theophylline, 8-benzyl-7-(2-(ethyl(2-hydroxyethyl)amino)ethyl)-, Monohydrochloride

    47. Bamifylline Hydrochloride [mart.]

    48. Ncgc00182061-03

    49. 1h-purine-2,6-dione, 7-(2-(ethyl(2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-, Hydrochloride (1:?)

    50. Bamifylline Hydrochloride [who-dd]

    51. D03051

    52. Q27263955

    53. 1h-purine-2,6-dione, 7-(2-(ethyl(2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-, Hydrochloride (1:1)

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 421.9 g/mol
    Molecular Formula C20H28ClN5O3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count8
    Exact Mass421.1880675 g/mol
    Monoisotopic Mass421.1880675 g/mol
    Topological Polar Surface Area81.9 Ų
    Heavy Atom Count29
    Formal Charge0
    Complexity554
    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.)

    Analgesics

    Compounds capable of relieving pain without the loss of CONSCIOUSNESS. (See all compounds classified as Analgesics.)

    Vasodilator Agents

    Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)