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    R-Tofisopam

    PharmaCompass
    Xls

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    2D Structure
    Also known as: R-tofisopam, Ez15i5d6c1, 82059-50-5, (5r)-1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5h-2,3-benzodiazepine, (+)-(5r)-1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5h-2,3-benzodiazepine, Dextofisopam [usan]
    Molecular Formula
    C22H26N2O4
    Molecular Weight
    382.5  g/mol
    InChI Key
    RUJBDQSFYCKFAA-HNNXBMFYSA-N
    FDA UNII
    EZ15I5D6C1
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (5R)-1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine
    2.1.2 InChI
    InChI=1S/C22H26N2O4/c1-7-15-13(2)23-24-22(14-8-9-18(25-3)19(10-14)26-4)17-12-21(28-6)20(27-5)11-16(15)17/h8-12,15H,7H2,1-6H3/t15-/m0/s1
    2.1.3 InChI Key
    RUJBDQSFYCKFAA-HNNXBMFYSA-N
    2.1.4 Canonical SMILES
    CCC1C(=NN=C(C2=CC(=C(C=C12)OC)OC)C3=CC(=C(C=C3)OC)OC)C
    2.1.5 Isomeric SMILES
    CC[C@H]1C(=NN=C(C2=CC(=C(C=C12)OC)OC)C3=CC(=C(C=C3)OC)OC)C
    2.2 Other Identifiers
    2.2.1 UNII
    EZ15I5D6C1
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5h-2,3-benzodiazepine

    2. Egyt-341

    3. Grandaxin

    4. Levotofisopam

    5. Tofisopam

    6. Tofizopam

    2.3.2 Depositor-Supplied Synonyms

    1. R-tofisopam

    2. Ez15i5d6c1

    3. 82059-50-5

    4. (5r)-1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5h-2,3-benzodiazepine

    5. (+)-(5r)-1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5h-2,3-benzodiazepine

    6. Dextofisopam [usan]

    7. Dextofisopam (usan/inn)

    8. Dextofisopam [usan:inn]

    9. Unii-ez15i5d6c1

    10. Dextofisopam [inn]

    11. Schembl236796

    12. Schembl8086913

    13. Chembl2107331

    14. Dtxsid00231554

    15. Zinc608106

    16. Db06582

    17. D03737

    18. Q27277442

    19. (5r)-1-(3,4-dimethoxyphenyl)-4-methyl-5-ethyl-7,8-dimethoxy-5h-2,3-benzodiazepine

    20. 5h-2,3-benzodiazepine, 1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-, (5r)-

    21. 5h-2,3-benzodiazepine, 1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl, (5r)

    22. Jpu

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 382.5 g/mol
    Molecular Formula C22H26N2O4
    XLogP33.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count6
    Exact Mass382.18925731 g/mol
    Monoisotopic Mass382.18925731 g/mol
    Topological Polar Surface Area61.6 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity579
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    Investigated for use/treatment in irritable bowel syndrome (IBS).

    5 Pharmacology and Biochemistry
    5.1 MeSH Pharmacological Classification

    Antidepressive Agents

    Mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions. Several MONOAMINE OXIDASE INHIBITORS are useful as antidepressants apparently as a long-term consequence of their modulation of catecholamine levels. The tricyclic compounds useful as antidepressive agents (ANTIDEPRESSIVE AGENTS, TRICYCLIC) also appear to act through brain catecholamine systems. A third group (ANTIDEPRESSIVE AGENTS, SECOND-GENERATION) is a diverse group of drugs including some that act specifically on serotonergic systems. (See all compounds classified as Antidepressive Agents.)