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    Oxyphenonium

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    PharmaCompass
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    2D Structure
    Also known as: 50-10-2, Spasmophen, Oxifenon, Oxyfenon, Oxyphenon, Antrenyl
    Molecular Formula
    C21H34BrNO3
    Molecular Weight
    428.4  g/mol
    InChI Key
    UKLQXHUGTKWPSR-UHFFFAOYSA-M
    FDA UNII
    S9421HWB3Z
    A quaternary ammonium anticholinergic agent with peripheral side effects similar to those of ATROPINE. It is used as an adjunct in the treatment of gastric and duodenal ulcer, and to relieve visceral spasms. The drug has also been used in the form of eye drops for mydriatic effect.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxyethyl-diethyl-methylazanium;bromide
    2.1.2 InChI
    InChI=1S/C21H34NO3.BrH/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6,8-9,12-13,19,24H,4-5,7,10-11,14-17H2,1-3H3;1H/q+1;/p-1
    2.1.3 InChI Key
    UKLQXHUGTKWPSR-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    CC[N+](C)(CC)CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.[Br-]
    2.2 Other Identifiers
    2.2.1 UNII
    S9421HWB3Z
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-((cyclohexylhydroxyphenylacetyl)oxy)-n,n-diethyl-n-methylethanaminium

    2. Atrenyl

    3. Bromide, Oxyphenonium

    4. Chloride, Oxyphenonium

    5. Iodide, Oxyphenonium

    6. Metacin

    7. Methacin

    8. Oxyphenon

    9. Oxyphenonium

    10. Oxyphenonium Bromide, (+)-isomer

    11. Oxyphenonium Bromide, (+-)-isomer

    12. Oxyphenonium Bromide, (-)-isomer

    13. Oxyphenonium Chloride

    14. Oxyphenonium Iodide

    15. Oxyphenonium Iodide, (r)-isomer

    16. Oxyphenonium Iodide, (s)-isomer

    17. Oxyphenonium, (+-)-isomer

    18. Oxyphenonium, (r)-isomer

    19. Oxyphenonium, (s)-isomer

    20. Spastrex

    2.3.2 Depositor-Supplied Synonyms

    1. 50-10-2

    2. Spasmophen

    3. Oxifenon

    4. Oxyfenon

    5. Oxyphenon

    6. Antrenyl

    7. Oxyphenoniumbromide

    8. Antrenil

    9. Spasmodin

    10. Ba-5473

    11. Oxyphenonium (bromide)

    12. Nsc-759248

    13. Mls000028620

    14. S9421hwb3z

    15. 2-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxyethyl-diethyl-methylazanium;bromide

    16. Smr000058660

    17. Subranyl

    18. Antrenyl Bromide

    19. C-5473

    20. Oxyphenonium Bromide (inn)

    21. Dsstox_cid_25632

    22. Dsstox_rid_81014

    23. Ethanaminium, 2-((cyclohexylhydroxyphenylacetyl)oxy)-n,n-diethyl-n-methyl-, Bromide

    24. Dsstox_gsid_45632

    25. Oxyphenonium Bromide [inn]

    26. Cas-50-10-2

    27. Oxyphenonii Bromidum

    28. Bromuro De Oxifenonio

    29. Bromure D'oxyphenonium

    30. Oxyphenonium Bromide [inn:ban]

    31. Oxyphenonii Bromidum [inn-latin]

    32. Ncgc00018256-02

    33. Einecs 200-010-7

    34. Bromure D'oxyphenonium [inn-french]

    35. Bromuro De Oxifenonio [inn-spanish]

    36. Unii-s9421hwb3z

    37. C 5473

    38. Antrenyl (tn)

    39. Opera_id_1635

    40. Diethyl(2-hydroxyethyl)methylammonium Bromide Alpha-phenylcyclohexaneglycolate

    41. Regid_for_cid_5748

    42. Mls001076268

    43. Mls001424168

    44. Schembl248890

    45. Chembl1200906

    46. Dtxsid4045632

    47. Oxyphenonium Bromide [mi]

    48. Hms2052o07

    49. Hms2230j18

    50. Hms3371m04

    51. Hms3394o07

    52. Pharmakon1600-01505783

    53. (+/-)-oxyphenonium Bromide

    54. Oxyphenonium Bromide [vandf]

    55. Tox21_110851

    56. Nsc759248

    57. Oxyphenonium Bromide [mart.]

    58. Oxyphenonium Bromide [who-dd]

    59. Akos030507607

    60. Tox21_110851_1

    61. Ccg-101094

    62. Ccg-213986

    63. Nc00344

    64. Ammonium, Diethyl(2-hydroxyethyl)methyl-, Bromide, Alpha-phenylcyclohexaneglycolate

    65. Ncgc00018256-06

    66. Oxyphenonium Bromide [orange Book]

    67. D06877

    68. Sr-01000003140

    69. Q7116109

    70. Sr-01000003140-4

    71. Z1551429731

    72. {2-[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxy]ethyl}diethylmethylazanium Bromide

    73. 2-(2-cyclohexyl-2-hydroxy-2-phenylacetoxy)-n,n-diethyl-n-methylethan-1-aminium Bromide

    74. Diethyl(2-hydroxyethyl)methylammonium Bromide .alpha.-phenylcyclohexaneglycolate

    75. Ethanaminium, 2-((2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxy)-n,n-diethyl-n-methyl-, Bromide (1:1)

    2.4 Create Date
    2005-06-29
    3 Chemical and Physical Properties
    Molecular Weight 428.4 g/mol
    Molecular Formula C21H34BrNO3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count9
    Exact Mass427.17221 g/mol
    Monoisotopic Mass427.17221 g/mol
    Topological Polar Surface Area46.5 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity409
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Mydriatics

    Agents that dilate the pupil. They may be either sympathomimetics or parasympatholytics. (See all compounds classified as Mydriatics.)

    Muscarinic Antagonists

    Drugs that bind to but do not activate MUSCARINIC RECEPTORS, thereby blocking the actions of endogenous ACETYLCHOLINE or exogenous agonists. Muscarinic antagonists have widespread effects including actions on the iris and ciliary muscle of the eye, the heart and blood vessels, secretions of the respiratory tract, GI system, and salivary glands, GI motility, urinary bladder tone, and the central nervous system. (See all compounds classified as Muscarinic Antagonists.)

    Parasympatholytics

    Agents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS. (See all compounds classified as Parasympatholytics.)