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    Trimethaphan Camsylate

    FINISHED DOSAGE FORMULATIONS

    PharmaCompass
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    2D Structure
    Also known as: 68-91-7, Trimetaphan camsylate, Trimethaphan camphorsulfonate, 3,5-dibenzyl-8-thionia-3,5-diazatricyclo[6.3.0.02,6]undecan-4-one;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate, Trimethaphan 10-camphorsulfonate, Nu-2222
    Molecular Formula
    C32H40N2O5S2
    Molecular Weight
    596.8  g/mol
    InChI Key
    HALWUDBBYKMYPW-UHFFFAOYSA-M
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3,5-dibenzyl-8-thionia-3,5-diazatricyclo[6.3.0.02,6]undecan-4-one;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate
    2.1.2 InChI
    InChI=1S/C22H25N2OS.C10H16O4S/c25-22-23(14-17-8-3-1-4-9-17)19-16-26-13-7-12-20(26)21(19)24(22)15-18-10-5-2-6-11-18;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h1-6,8-11,19-21H,7,12-16H2;7H,3-6H2,1-2H3,(H,12,13,14)/q+1;/p-1
    2.1.3 InChI Key
    HALWUDBBYKMYPW-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    CC1(C2CCC1(C(=O)C2)CS(=O)(=O)[O-])C.C1CC2C3C(C[S+]2C1)N(C(=O)N3CC4=CC=CC=C4)CC5=CC=CC=C5
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Arfonad

    2. Trimethaphan Camphor Sulfonate

    2.2.2 Depositor-Supplied Synonyms

    1. 68-91-7

    2. Trimetaphan Camsylate

    3. Trimethaphan Camphorsulfonate

    4. 3,5-dibenzyl-8-thionia-3,5-diazatricyclo[6.3.0.02,6]undecan-4-one;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate

    5. Trimethaphan 10-camphorsulfonate

    6. Nu-2222

    7. Arfonad (tn)

    8. Trimetaphan (rs)-camsilate

    9. Chembl1245

    10. Schembl122467

    11. Dtxsid3023710

    12. Trimetaphan Camsilate (jan/inn)

    13. D00612

    14. Q7842197

    15. 1,3-dibenzyl-4,6,7,8,8a,8b-hexahydro-3ah-thieno[5,6]thieno[1,2-b]imidazol-5-ium-2-one;(7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonate

    16. 2-oxo-1,3-bis(phenylmethyl)decahydrothieno[1',2':1,2]thieno[3,4-d]imidazol-5-ium (7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonate

    2.3 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 596.8 g/mol
    Molecular Formula C32H40N2O5S2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count5
    Exact Mass596.23786473 g/mol
    Monoisotopic Mass596.23786473 g/mol
    Topological Polar Surface Area107 Ų
    Heavy Atom Count41
    Formal Charge0
    Complexity905
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count5
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Vasodilator Agents

    Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)