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    Delimmun

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    2D Structure
    Also known as: Isoprinosine, 36703-88-5, Inosiplex, Delimmun, Methisoprinol, Imunovir
    Molecular Formula
    C52H78N10O17
    Molecular Weight
    1115.2  g/mol
    InChI Key
    YLDCUKJMEKGGFI-QCSRICIXSA-N
    FDA UNII
    W1SO0V223F
    An alkylamino-alcohol complex of inosine used in the treatment of a variety of viral infections. Unlike other antiviral agents, it acts by modifying or stimulating cell-mediated immune processes rather than acting on the virus directly.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-acetamidobenzoic acid;9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;1-(dimethylamino)propan-2-ol
    2.1.2 InChI
    InChI=1S/C10H12N4O5.3C9H9NO3.3C5H13NO/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18;3*1-6(11)10-8-4-2-7(3-5-8)9(12)13;3*1-5(7)4-6(2)3/h2-4,6-7,10,15-17H,1H2,(H,11,12,18);3*2-5H,1H3,(H,10,11)(H,12,13);3*5,7H,4H2,1-3H3/t4-,6-,7-,10-;;;;;;/m1....../s1
    2.1.3 InChI Key
    YLDCUKJMEKGGFI-QCSRICIXSA-N
    2.1.4 Canonical SMILES
    CC(CN(C)C)O.CC(CN(C)C)O.CC(CN(C)C)O.CC(=O)NC1=CC=C(C=C1)C(=O)O.CC(=O)NC1=CC=C(C=C1)C(=O)O.CC(=O)NC1=CC=C(C=C1)C(=O)O.C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)CO)O)O
    2.1.5 Isomeric SMILES
    CC(CN(C)C)O.CC(CN(C)C)O.CC(CN(C)C)O.CC(=O)NC1=CC=C(C=C1)C(=O)O.CC(=O)NC1=CC=C(C=C1)C(=O)O.CC(=O)NC1=CC=C(C=C1)C(=O)O.C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    W1SO0V223F
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Imunovir

    2. Inosiplex

    3. Isoprinosin

    4. Isoprinosine

    5. Methisoprinol

    6. Methysoprinol

    7. Metisoprinol

    8. Npt 10381

    9. Npt-10381

    10. Npt10381

    11. Pranobex, Inosine

    2.3.2 Depositor-Supplied Synonyms

    1. Isoprinosine

    2. 36703-88-5

    3. Inosiplex

    4. Delimmun

    5. Methisoprinol

    6. Imunovir

    7. Isoviral

    8. Viruxan

    9. Isoprinosin

    10. Isoprinosina

    11. Aviral

    12. Inosine Acedobene Dimepranol

    13. Imunoviral

    14. Modimmunal

    15. Immunovir

    16. Pranosina

    17. Pranosine

    18. Np 113

    19. Npt-10381

    20. W1so0v223f

    21. Np-113

    22. Inosine Pranobex (jan)

    23. Inosine-2-hydroxypropyldimethylammonium 4-acetamidobenzoate (1:3)

    24. Inosine Pranobex [jan]

    25. 4-acetamidobenzoic Acid,9-((2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-3h-purin-6(9h)-one,1-(dimethylamino)propan-2-ol (3:1:3)

    26. 4-acetamidobenzoic Acid;9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3h-purin-6-one;1-(dimethylamino)propan-2-ol

    27. Inosine Pranobex [ban:jan]

    28. Einecs 253-162-1

    29. Ntp 10381

    30. Unii-w1so0v223f

    31. Groprinosin

    32. Isoprinosine (tn)

    33. Inosine, Compd. With 1-(dimethylamino)-2-propanol 4-(acetylamino)benzoate (salt) (1:3)

    34. Inosine, Compound With (2-hydroxypropyl)dimethylammonium P-acetamidobenzoate (1:3)

    35. Inosine Pranobex [mi]

    36. Chembl3833327

    37. Inosine Pranobex [mart.]

    38. Inosine Pranobex [who-dd]

    39. Dtxsid401021342

    40. Iad

    41. Mfcd05662374

    42. S5016

    43. Akos025312516

    44. Akos030228417

    45. Ccg-270642

    46. As-12319

    47. Hy-107801

    48. Cs-0030676

    49. I1037

    50. C74892

    51. D01995

    52. 703i885

    53. A874300

    54. Q3130053

    55. P-acetamidobenzoic Salt Of N,n-dimethylamino-2-propanol & Inosine (3:1)

    56. Inosine & 1-(dimethylamino)-2-propanol & 4-(acetylamino)benzoate (salt) (1:3:3)

    57. 4-acetamidobenzoic Acid; 9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1h-purin-6-one; 1-(dimethylamino)propan-2-ol

    58. 4-acetamidobenzoic Acid;9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1h-purin-6-one;1-(dimethylamino)propan-2-ol

    2.4 Create Date
    2019-01-15
    3 Chemical and Physical Properties
    Molecular Weight 1115.2 g/mol
    Molecular Formula C52H78N10O17
    Hydrogen Bond Donor Count13
    Hydrogen Bond Acceptor Count22
    Rotatable Bond Count14
    Exact Mass1114.55464106 g/mol
    Monoisotopic Mass1114.55464106 g/mol
    Topological Polar Surface Area399 Ų
    Heavy Atom Count79
    Formal Charge0
    Complexity658
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count3
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count7
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Adjuvants, Immunologic

    Substances that augment, stimulate, activate, potentiate, or modulate the immune response at either the cellular or humoral level. The classical agents (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contain bacterial antigens. Some are endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Their mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy of many biological response modifiers is related to their antigen-specific immunoadjuvanticity. (See all compounds classified as Adjuvants, Immunologic.)

    Antiviral Agents

    Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly. (See all compounds classified as Antiviral Agents.)

    4.2 ATC Code

    J - Antiinfectives for systemic use

    J05 - Antivirals for systemic use

    J05A - Direct acting antivirals

    J05AX - Other antivirals

    J05AX05 - Inosine pranobex