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    Chemistry

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    Also known as: Hyoscyamine sulfate, Schembl34273, Chembl1697729
    Molecular Formula
    C17H25NO7S
    Molecular Weight
    387.4  g/mol
    InChI Key
    VJFQPODMEGSXHC-BXSBZORQSA-N
    Hyoscyamine Sulfate
    The 3(S)-endo isomer of atropine.
    1 2D Structure

    Hyoscyamine Sulfate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate;sulfuric acid
    2.1.2 InChI
    InChI=1S/C17H23NO3.H2O4S/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4/h2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4)/t13-,14+,15?,16-;/m1./s1
    2.1.3 InChI Key
    VJFQPODMEGSXHC-BXSBZORQSA-N
    2.1.4 Canonical SMILES
    CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.OS(=O)(=O)O
    2.1.5 Isomeric SMILES
    CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H](CO)C3=CC=CC=C3.OS(=O)(=O)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Anaspaz

    2. Atropine Sulfate, 3(s)-endo-isomer

    3. Atropine, 3(s)-endo-isomer

    4. Cytospaz

    5. Hyoscyamine

    6. Hyoscyamine Hydrobromide

    7. Hyoscyamine Hydrochloride

    8. Hyoscyamine Sulfate

    9. Hyoscyamine Sulfate Anhydrous

    2.2.2 Depositor-Supplied Synonyms

    1. Hyoscyamine Sulfate

    2. Schembl34273

    3. Chembl1697729

    2.3 Create Date
    2007-12-12
    3 Chemical and Physical Properties
    Molecular Weight 387.4 g/mol
    Molecular Formula C17H25NO7S
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count5
    Exact Mass387.13517331 g/mol
    Monoisotopic Mass387.13517331 g/mol
    Topological Polar Surface Area133 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity434
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    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

    Adjuvants, Anesthesia

    Agents that are administered in association with anesthetics to increase effectiveness, improve delivery, or decrease required dosage. (See all compounds classified as Adjuvants, Anesthesia.)

    Anti-Arrhythmia Agents

    Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade. (See all compounds classified as Anti-Arrhythmia Agents.)

    Bronchodilator Agents

    Agents that cause an increase in the expansion of a bronchus or bronchial tubes. (See all compounds classified as Bronchodilator Agents.)

    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.)

    Mydriatics

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

    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.)

    API Reference Price

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    16-Feb-2021
    25-Oct-2024
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