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    Mesocarb

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Sydnocarb, Sidnocarb, 34262-84-5, Mesocarb [inn], Umt8mp2ndu, Mlr-1017
    Molecular Formula
    C18H18N4O2
    Molecular Weight
    322.4  g/mol
    InChI Key
    OWFUPROYPKGHMH-UHFFFAOYSA-N
    FDA UNII
    UMT8MP2NDU
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-phenyl-N'-[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]carbamimidate
    2.1.2 InChI
    InChI=1S/C18H18N4O2/c1-14(12-15-8-4-2-5-9-15)22-13-17(24-21-22)20-18(23)19-16-10-6-3-7-11-16/h2-11,13-14H,12H2,1H3,(H-,19,20,21,23)
    2.1.3 InChI Key
    OWFUPROYPKGHMH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(CC1=CC=CC=C1)[N+]2=NOC(=C2)N=C(NC3=CC=CC=C3)[O-]
    2.1.5 Isomeric SMILES
    CC(CC1=CC=CC=C1)[N+]2=NOC(=C2)/N=C(/NC3=CC=CC=C3)\[O-]
    2.2 Other Identifiers
    2.2.1 UNII
    UMT8MP2NDU
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. N-phenylcarbamoyl-3-(beta-phenylisopropyl)sydnonimine

    2. Sidnocarb

    3. Sydnocarb

    2.3.2 Depositor-Supplied Synonyms

    1. Sydnocarb

    2. Sidnocarb

    3. 34262-84-5

    4. Mesocarb [inn]

    5. Umt8mp2ndu

    6. Mlr-1017

    7. Mesocarbum

    8. Mesocarbo

    9. Sidnokarb

    10. Sydnone Imine, 3-(1-methyl-2-phenylethyl)-n-((phenylamino)carbonyl)-

    11. N-phenyl-n'-[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]carbamimidate

    12. Unii-umt8mp2ndu

    13. Mesocarbum [inn-latin]

    14. Mesocarbo [inn-spanish]

    15. Brn 5773701

    16. Mesocarb [mart.]

    17. Mesocarb [who-dd]

    18. Mls000556315

    19. Schembl727658

    20. 3-(beta-phenylisopropyl)-n-phenyl Carbamoylsidnonimin

    21. Chembl2105246

    22. Chembl3989800

    23. Dtxsid10900961

    24. Hms2326a20

    25. Sydnone Imine, 3-(.alpha.-methylphenethyl)-n-(phenylcarbamoyl)-

    26. Stk548667

    27. Akos005476412

    28. Ncgc00246489-01

    29. Smr000147632

    30. 3-(alpha-methylphenethyl)-n-(phenylcarbamoyl)sydnone Imine

    31. Sydnone Imine, 3-(alpha-methylphenethyl)-n-(phenylcarbamoyl)-

    32. 3-(.alpha.-methylphenethyl)-n-(phenylcarbamoyl)sydnone Imine

    33. (5z)-5-[(phenylcarbamoyl)imino]-3-(1-phenylpropan-2-yl)-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide

    34. 1,2,3-oxadiazolium, 3-(1-methyl-2-phenylethyl)-5-(((phenylamino)carbonyl)amino)-, Inner Salt

    35. 178936-15-7

    2.4 Create Date
    2006-10-20
    3 Chemical and Physical Properties
    Molecular Weight 322.4 g/mol
    Molecular Formula C18H18N4O2
    XLogP34.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count6
    Exact Mass322.14297583 g/mol
    Monoisotopic Mass322.14297583 g/mol
    Topological Polar Surface Area77.4 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity406
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anticonvulsants

    Drugs used to prevent SEIZURES or reduce their severity. (See all compounds classified as Anticonvulsants.)

    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.)

    Central Nervous System Stimulants

    A loosely defined group of drugs that tend to increase behavioral alertness, agitation, or excitation. They work by a variety of mechanisms, but usually not by direct excitation of neurons. The many drugs that have such actions as side effects to their main therapeutic use are not included here. (See all compounds classified as Central Nervous System Stimulants.)

    Sympathomimetics

    Drugs that mimic the effects of stimulating postganglionic adrenergic sympathetic nerves. Included here are drugs that directly stimulate adrenergic receptors and drugs that act indirectly by provoking the release of adrenergic transmitters. (See all compounds classified as Sympathomimetics.)