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    Technical details about DSSTox_CID_3262, learn more about the structure, uses, toxicity, action, side effects and more

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    DSSTox_CID_3262

    APIs // Active Pharmaceutical Ingredients

    PRICE INFORMATION

    INTERMEDIATES

    MARKET PLACE

    PharmaCompass

    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    Also known as: 29216-28-2, Metaplexan, Primalan, Virginan, Mircol, Instotal
    Molecular Formula
    C20H22N2S
    Molecular Weight
    322.5  g/mol
    InChI Key
    HOKDBMAJZXIPGC-UHFFFAOYSA-N
    FDA UNII
    Y463242LY2
    Mequitazine is a histamine H1 antagonist (antihistamine). It competes with histamine for the normal H1-receptor sites on effector cells of the gastrointestinal tract, blood vessels and respiratory tract. It provides effective, temporary relief of sneezing, watery and itchy eyes, and runny nose due to hay fever and other upper respiratory allergies.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    10-(1-azabicyclo[2.2.2]octan-3-ylmethyl)phenothiazine
    2.1.2 InChI
    InChI=1S/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2
    2.1.3 InChI Key
    HOKDBMAJZXIPGC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CN2CCC1C(C2)CN3C4=CC=CC=C4SC5=CC=CC=C53
    2.2 Other Identifiers
    2.2.1 UNII
    Y463242LY2
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3-methylquinuclidinyl-10-phenothiazine

    2. Lm 209

    3. Mequitazine Hydrochloride

    4. Mequitazine Tartrate, (r-(r*,r*))-isomer

    5. Mircol

    6. Primalan

    7. Quitadrill

    2.3.2 Depositor-Supplied Synonyms

    1. 29216-28-2

    2. Metaplexan

    3. Primalan

    4. Virginan

    5. Mircol

    6. Instotal

    7. Vigigan

    8. (r)-(+)-mequitazine

    9. Mequitazina [spanish]

    10. Kitazemin

    11. Mequitazina

    12. 10-(1-azabicyclo[2.2.2]oct-3-ylmethyl)-10h-phenothiazine

    13. Mequitazinum [inn-latin]

    14. Mequitazina [inn-spanish]

    15. Lm 209

    16. Lm-209

    17. 10-(3-quinuclidinylmethyl)phenothiazine

    18. 10-(1-azabicyclo[2.2.2]octan-3-ylmethyl)phenothiazine

    19. Phenothiazine, 10-(3-quinuclidinylmethyl)-

    20. Nsc 303612

    21. 10-(quinuclidin-3-ylmethyl)-10h-phenothiazine

    22. 10h-phenothiazine, 10-(1-azabicyclo[2.2.2]oct-3-ylmethyl)-

    23. Nsc303612

    24. Butix

    25. Nsc-303612

    26. Mls000757058

    27. Chebi:31821

    28. Y463242ly2

    29. Ncgc00183046-01

    30. Mequitazinum

    31. Zesulan

    32. 10h-phenothiazine, 10-(1-azabicyclo(2.2.2)oct-3-ylmethyl)-

    33. Dsstox_cid_3262

    34. Dsstox_rid_76947

    35. Dsstox_gsid_23262

    36. Mequitazine [inn:ban:dcf:jan]

    37. Kitazemin (tn)

    38. Smr000528898

    39. 3-methylquinuclidinyl-10-phenothiazine

    40. Cas-29216-28-2

    41. Einecs 249-521-7

    42. Brn 1150945

    43. Releas

    44. Unii-y463242ly2

    45. Mequitazine [mi]

    46. Mequitazine [inn]

    47. Mequitazine [jan]

    48. Mequitazine (jp17/inn)

    49. Mequitazine [mart.]

    50. Schembl18207

    51. Mequitazine [who-dd]

    52. Mls001201790

    53. Chembl73451

    54. Dtxsid8023262

    55. Hms2231i03

    56. Hms3369o08

    57. Hms3604k05

    58. Hy-b2168

    59. Tox21_113648

    60. Mfcd00869383

    61. S6435

    62. Stk324459

    63. Akos000424971

    64. Akos022061643

    65. Tox21_113648_1

    66. Ac-2365

    67. Cs-6222

    68. Db01071

    69. Ncgc00183046-03

    70. Ls-14776

    71. Nci60_002566

    72. Db-047545

    73. Ds-016113

    74. Ft-0630547

    75. Ft-0671023

    76. M2807

    77. V0162

    78. D01324

    79. Ab00691111-09

    80. 216m282

    81. A819820

    82. L000704

    83. 10-(quinuclidin-3-ylmethyl)phenothiazine;mequitazine

    84. J-008412

    85. J-017436

    86. Q3333256

    87. 10-{1-azabicyclo[2.2.2]octan-3-ylmethyl}-10h-phenothiazine

    88. (r)-10-(1-azabicyclo[2.2.2]oct-3-ylmethyl)-10h-phenothiazine

    89. 10h-phenothiazine,10-[(3s)-1-azabicyclo[2.2.2]oct-3-ylmethyl]-

    2.4 Create Date
    2005-03-25
    3 Chemical and Physical Properties
    Molecular Weight 322.5 g/mol
    Molecular Formula C20H22N2S
    XLogP34.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass322.15036988 g/mol
    Monoisotopic Mass322.15036988 g/mol
    Topological Polar Surface Area31.8 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity398
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    For the treatment of Hay fever, urticaria (hives) and allergic rhinitis

    5 Pharmacology and Biochemistry
    5.1 Pharmacology

    In allergic reactions an allergen interacts with and cross-links surface IgE antibodies on mast cells and basophils. Once the mast cell-antibody-antigen complex is formed, a complex series of events occurs that eventually leads to cell-degranulation and the release of histamine (and other chemical mediators) from the mast cell or basophil. Once released, histamine can react with local or widespread tissues through histamine receptors. Histamine, acting on H1-receptors, produces pruritis, vasodilatation, hypotension, flushing, headache, tachycardia, and bronchoconstriction. Histamine also increases vascular permeability and potentiates pain. Mequitazine is a histamine H1 antagonist. It competes with histamine for the normal H1-receptor sites on effector cells of the gastrointestinal tract, blood vessels and respiratory tract. It provides effective, temporary relief of sneezing, watery and itchy eyes, and runny nose due to hay fever and other upper respiratory allergies.

    5.2 MeSH Pharmacological Classification

    Histamine H1 Antagonists

    Drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine. Included here are the classical antihistaminics that antagonize or prevent the action of histamine mainly in immediate hypersensitivity. They act in the bronchi, capillaries, and some other smooth muscles, and are used to prevent or allay motion sickness, seasonal rhinitis, and allergic dermatitis and to induce somnolence. The effects of blocking central nervous system H1 receptors are not as well understood. (See all compounds classified as Histamine H1 Antagonists.)

    5.3 ATC Code

    R - Respiratory system

    R06 - Antihistamines for systemic use

    R06A - Antihistamines for systemic use

    R06AD - Phenothiazine derivatives

    R06AD07 - Mequitazine

    5.4 Mechanism of Action

    Mequitazine binds to the histamine H1 receptor sites on effector cells in the gastrointestinal tract, blood vessels, and respiratory tract. This blocks the action of endogenous histamine, which subsequently leads to temporary relief of the negative symptoms brought on by histamine.

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