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    Technical details about DSSTox_CID_3724, learn more about the structure, uses, toxicity, action, side effects and more

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    DSSTox_CID_3724

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    2D Structure
    Also known as: 10405-02-4, Sanctura, Spasmex, Relaspium, Spasmo-lyt, Uraplex
    Molecular Formula
    C25H30ClNO3
    Molecular Weight
    428.0  g/mol
    InChI Key
    RVCSYOQWLPPAOA-DHWZJIOFSA-M
    FDA UNII
    1E6682427E
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(1R,5S)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl] 2-hydroxy-2,2-diphenylacetate;chloride
    2.1.2 InChI
    InChI=1S/C25H30NO3.ClH/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20)29-23-17-21-13-14-22(18-23)26(21)15-7-8-16-26;/h1-6,9-12,21-23,28H,7-8,13-18H2;1H/q+1;/p-1/t21-,22+,23?;
    2.1.3 InChI Key
    RVCSYOQWLPPAOA-DHWZJIOFSA-M
    2.1.4 Canonical SMILES
    C1CC[N+]2(C1)C3CCC2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O.[Cl-]
    2.1.5 Isomeric SMILES
    C1CC[N+]2(C1)[C@@H]3CC[C@H]2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O.[Cl-]
    2.2 Other Identifiers
    2.2.1 UNII
    1E6682427E
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Azoniaspiro Compound Xvii

    2. Azoniaspiro(3 Alpha-benziloyloxynortropane-8,1'- Pyrrolidine) Chloride

    3. Ceris

    4. Spasmex

    5. Spasmo-lyt

    6. Spasmo-rhoival Tc

    7. Spasmo-urgenin

    8. Spasmo-urgenin Tc

    9. Spasmolyt

    10. Trospi

    11. Uraplex

    12. Uraton

    2.3.2 Depositor-Supplied Synonyms

    1. 10405-02-4

    2. Sanctura

    3. Spasmex

    4. Relaspium

    5. Spasmo-lyt

    6. Uraplex

    7. Sanctura Xr

    8. Regurin

    9. Santura

    10. Trospium Cl

    11. Trospii Chloridum

    12. Cloruro De Trospio

    13. Spasmo 3

    14. Chlorure De Trospium

    15. Trospium (chloride)

    16. Ip631

    17. Spasmoplex

    18. Ip-631

    19. Trospium Chloride (sanctura)

    20. 1e6682427e

    21. Dsstox_cid_3724

    22. Dsstox_rid_77166

    23. Dsstox_gsid_23724

    24. Keptan

    25. Azoniaspiro Compound Xvii

    26. Flotros

    27. As Xvii

    28. Rel-(1r,3r,5s)-3-(2-hydroxy-2,2-diphenylacetoxy)spiro[bicyclo[3.2.1]octane-8,1'-pyrrolidin]-1'-ium Chloride

    29. Cas-10405-02-4

    30. Ncgc00167438-01

    31. Ncgc00167438-02

    32. Trospiumchlorid

    33. Spasmed

    34. Trofame

    35. Trospikan

    36. Trosec

    37. Regurin Xl

    38. Trospii Chloridum [inn-latin]

    39. Cloruro De Trospio [inn-spanish]

    40. Unii-1e6682427e

    41. Chlorure De Trospium [inn-french]

    42. [(1s,5r)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl] 2-hydroxy-2,2-diphenylacetate;chloride

    43. Einecs 233-875-4

    44. Trospium Chloride [usan:usp:inn:ban:jan]

    45. Schembl25785

    46. Trospium Chloride [mi]

    47. Trospium Chloride [inn]

    48. Trospium Chloride [jan]

    49. Chembl3084748

    50. Schembl13836646

    51. Trospium Chloride [usan]

    52. Chebi:32270

    53. Trospium Chloride [mart.]

    54. Hms3656c16

    55. Hms3884h08

    56. Trospium Chloride [usp-rs]

    57. Trospium Chloride [who-dd]

    58. Bcp23426

    59. Hy-b0461

    60. Tox21_112442

    61. 8-alpha-benziloyloxy-6,10-ethano-5-azoniaspiro(4.5)decane Chloride

    62. Azoniaspiro(3-alpha-benziloyloxy-nortropan-8,1'-pyrrolidine)-chloride

    63. Bdbm50540489

    64. Mfcd00865254

    65. S2549

    66. Akos015833209

    67. Tox21_112442_1

    68. Ac-4235

    69. Ccg-268976

    70. Trospium Chloride [orange Book]

    71. Trospium Chloride [ep Monograph]

    72. Trospium Chloride [usp Monograph]

    73. Bcp0726000291

    74. Sw219146-1

    75. T3305

    76. I11574

    77. A800884

    78. W-108827

    79. Q27252312

    80. 3alpha-hydroxyspiro(1alphah,5alphah-nortropane-8,1'-pyrrolidinium) Chloride Benzilate

    81. (1s,3r,5r)-3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-8lambda(5)-azaspiro[bicyclo[3.2.1]octane-8,1'-pyrrolidin]-8-ylium Chloride

    82. [(1s,5r)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate Chloride

    83. 2-hydroxy-2,2-diphenylacetic Acid [(1s,5r)-3-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]yl] Ester Chloride

    84. 3.alpha.-hydroxy-spiro(1.alpha.h,5.alpha.h-nortropane-8,1'-pyrrolidinium) Chloride Benzilate

    85. Rel-(1r,3r,5s)-3-(2-hydroxy-2,2-diphenylacetoxy)spiro[bicyclo[3.2.1]octane-8,1'-pyrrolidin]-1'-iumchloride

    86. Spiro (8-azoniabicyclo(3.2.1)octane-8,1'-pyrrolidinium), 3-((hydroxydiphenylacetyl)oxy)-, Chloride, (1alpha, 3beta, 5alpha)

    87. Spiro(1-alpha-h,5-alpha-h-nortropane-8,1'-pyrrolidinium), 3-alpha-hydroxy-, Chloride, Benzilate

    88. Spiro(8-azoniabicyclo(3.2.1)octane-8,1'-pyrrolidinium), 3-((hydroxydiphenylacetyl)oxy)-, Chloride, (1.alpha., 3.beta., 5.alpha.)

    89. Spiro(8-azoniabicyclo(3.2.1)octane-8,1'-pyrrolidinium, 3-((hydroxydiphenylacetyl)oxy)-, Chloride, (1alpha,3beta,5alpha)-

    2.4 Create Date
    2005-11-20
    3 Chemical and Physical Properties
    Molecular Weight 428.0 g/mol
    Molecular Formula C25H30ClNO3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count5
    Exact Mass427.1914215 g/mol
    Monoisotopic Mass427.1914215 g/mol
    Topological Polar Surface Area46.5 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity553
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Drug and Medication Information
    4.1 Drug Information
    1 of 6  
    Drug NameSanctura
    Drug LabelSANCTURA XR is an extended-release formulation of trospium chloride, a quaternary ammonium compound with the chemical name of Spiro [8-azoniabicyclo[3.2.1]octane-8,1'-pyrrolidinium], 3-[(hydroxydiphenylacetyl)oxy]-, chloride, (1, 3, 5). The e...
    Active IngredientTrospium chloride
    Dosage FormTablet
    RouteOral
    Strength20mg
    Market StatusPrescription
    CompanyAllergan

    2 of 6  
    Drug NameSanctura xr
    Drug LabelSANCTURA XR is an extended-release formulation of trospium chloride, a quaternary ammonium compound with the chemical name of Spiro [8-azoniabicyclo[3.2.1]octane-8,1'-pyrrolidinium], 3-[(hydroxydiphenylacetyl)oxy]-, chloride, (1, 3, 5). The e...
    Active IngredientTrospium chloride
    Dosage FormCapsule, extended release
    RouteOral
    Strength60mg
    Market StatusPrescription
    CompanyAllergan

    3 of 6  
    Drug NameTrospium chloride
    PubMed HealthTrospium (By mouth)
    Drug ClassesUrinary Antispasmodic
    Drug LabelTrospium Chloride Extended-Release Capsules are an extended-release formulation of trospium chloride, a quaternary ammonium compound with the chemical name of Spiro [8-azoniabicyclo[3.2.1]octane-8,1'-pyrrolidinium], 3-[(hydroxydiphenylacetyl)oxy]-, c
    Active IngredientTrospium chloride
    Dosage FormTablet; Capsule, extended release
    RouteOral
    Strength60mg; 20mg
    Market StatusPrescription
    CompanyActavis Labs Fl; Apotex; Glenmark Generics; Paddock

    4 of 6  
    Drug NameSanctura
    Drug LabelSANCTURA XR is an extended-release formulation of trospium chloride, a quaternary ammonium compound with the chemical name of Spiro [8-azoniabicyclo[3.2.1]octane-8,1'-pyrrolidinium], 3-[(hydroxydiphenylacetyl)oxy]-, chloride, (1, 3, 5). The e...
    Active IngredientTrospium chloride
    Dosage FormTablet
    RouteOral
    Strength20mg
    Market StatusPrescription
    CompanyAllergan

    5 of 6  
    Drug NameSanctura xr
    Drug LabelSANCTURA XR is an extended-release formulation of trospium chloride, a quaternary ammonium compound with the chemical name of Spiro [8-azoniabicyclo[3.2.1]octane-8,1'-pyrrolidinium], 3-[(hydroxydiphenylacetyl)oxy]-, chloride, (1, 3, 5). The e...
    Active IngredientTrospium chloride
    Dosage FormCapsule, extended release
    RouteOral
    Strength60mg
    Market StatusPrescription
    CompanyAllergan

    6 of 6  
    Drug NameTrospium chloride
    PubMed HealthTrospium (By mouth)
    Drug ClassesUrinary Antispasmodic
    Drug LabelTrospium Chloride Extended-Release Capsules are an extended-release formulation of trospium chloride, a quaternary ammonium compound with the chemical name of Spiro [8-azoniabicyclo[3.2.1]octane-8,1'-pyrrolidinium], 3-[(hydroxydiphenylacetyl)oxy]-, c
    Active IngredientTrospium chloride
    Dosage FormTablet; Capsule, extended release
    RouteOral
    Strength60mg; 20mg
    Market StatusPrescription
    CompanyActavis Labs Fl; Apotex; Glenmark Generics; Paddock

    5 Pharmacology and Biochemistry
    5.1 MeSH Pharmacological Classification

    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.)

    Urological Agents

    Drugs used in the treatment of urological conditions and diseases such as URINARY INCONTINENCE and URINARY TRACT INFECTIONS. (See all compounds classified as Urological Agents.)

    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.)

    5.2 FDA Pharmacological Classification
    5.2.1 Pharmacological Classes
    Cholinergic Muscarinic Antagonists [MoA]; Cholinergic Muscarinic Antagonist [EPC]
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