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    Technical details about Belladonna total alkaloids, learn more about the structure, uses, toxicity, action, side effects and more

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    Belladonna total alkaloids

    APIs // Active Pharmaceutical Ingredients

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    PharmaCompass

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    2D Structure
    1. Also known as: Belladonnine sulfate, 510-25-8, Beta-belladonnine, Belladonna alkaloids, Nsc100797, 5878-33-1
    Molecular Formula
    C34H42N2O4
    Molecular Weight
    542.7  g/mol
    InChI Key
    GERIGMSHTUAXSI-UHFFFAOYSA-N
    Alkaloids obtained from various plants, especially the deadly nightshade (Atropa belladonna), variety acuminata; atropine, hyoscyamine and scopolamine are classical, specific antimuscarinic agents with many pharmacologic actions; used mainly as antispasmodics.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    bis(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-phenyl-2,3-dihydro-1H-naphthalene-1,4-dicarboxylate
    2.1.2 InChI
    InChI=1S/C34H42N2O4/c1-35-23-12-13-24(35)19-27(18-23)39-32(37)30-16-17-34(22-8-4-3-5-9-22,31-11-7-6-10-29(30)31)33(38)40-28-20-25-14-15-26(21-28)36(25)2/h3-11,23-28,30H,12-21H2,1-2H3
    2.1.3 InChI Key
    GERIGMSHTUAXSI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1C2CCC1CC(C2)OC(=O)C3CCC(C4=CC=CC=C34)(C5=CC=CC=C5)C(=O)OC6CC7CCC(C6)N7C
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Alkaloids, Belladonna

    2. Belladonna Alkaloids

    2.2.2 Depositor-Supplied Synonyms

    1. Belladonnine Sulfate

    2. 510-25-8

    3. Beta-belladonnine

    4. Belladonna Alkaloids

    5. Nsc100797

    6. 5878-33-1

    7. Schembl6437603

    8. Chembl3187149

    9. Dtxsid10965277

    10. Stk663541

    11. Ncgc00160302-01

    12. Bis(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-phenyl-2,3-dihydro-1h-naphthalene-1,4-dicarboxylate

    13. Ncgc00160302-01!belladonnine

    14. Ft-0622610

    15. Bis(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-phenyltetralin-1,4-dicarboxylate

    16. 1,2,3,4-tetrahydro-1-phenyl-1,4-naphthalenedicarboxylic Acid Bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) Ester

    17. Bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) 1-phenyl-1,2,3,4-tetrahydronaphthalene-1,4-dicarboxylate

    18. Sulfuric Acid Compound With Bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) 1-phenyl-1,2,3,4-tetrahydro-1,4-naphthalenedicarboxylate (1:1)

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 542.7 g/mol
    Molecular Formula C34H42N2O4
    XLogP36
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count7
    Exact Mass542.31445783 g/mol
    Monoisotopic Mass542.31445783 g/mol
    Topological Polar Surface Area59.1 Ų
    Heavy Atom Count40
    Formal Charge0
    Complexity922
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count6
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 ATC Code

    A - Alimentary tract and metabolism

    A03 - Drugs for functional gastrointestinal disorders

    A03B - Belladonna and derivatives, plain

    A03BA - Belladonna alkaloids, tertiary amines

    A03BA04 - Belladonna total alkaloids

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