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    Azedra

    FINISHED DOSAGE FORMULATIONS

    DIGITAL CONTENT

    PATENTS & EXCLUSIVITIES

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    2D Structure
    Also known as: Iobenguane i 131, 77679-27-7, 131i-mibg, Azedra, Iobenguane i-131, I-131 metaiodobenzylguanidine
    Molecular Formula
    C8H10IN3
    Molecular Weight
    279.09  g/mol
    InChI Key
    PDWUPXJEEYOOTR-JRGAVVOBSA-N
    FDA UNII
    Q461L7AK4R
    A guanidine analog with specific affinity for tissues of the sympathetic nervous system and related tumors. The radiolabeled forms are used as antineoplastic agents and radioactive imaging agents. (Merck Index, 12th ed) MIBG serves as a neuron-blocking agent which has a strong affinity for, and retention in, the adrenal medulla and also inhibits ADP-ribosyltransferase.
    Iobenguane i-131 is a Radioactive Diagnostic Agent. The mechanism of action of iobenguane i-131 is as a Radiopharmaceutical Activity.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[(3-(131I)iodanylphenyl)methyl]guanidine
    2.1.2 InChI
    InChI=1S/C8H10IN3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5H2,(H4,10,11,12)/i9+4
    2.1.3 InChI Key
    PDWUPXJEEYOOTR-JRGAVVOBSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC(=C1)I)CN=C(N)N
    2.1.5 Isomeric SMILES
    C1=CC(=CC(=C1)[131I])CN=C(N)N
    2.2 Other Identifiers
    2.2.1 UNII
    Q461L7AK4R
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (3-iodo-(131i)benzyl)guanidine

    2. 123i Labeled 3-iodobenzylguanidine

    3. 125i Labeled 3-iodobenzylguanidine

    4. 3 Iodobenzylguanidine

    5. 3 Iodobenzylguanidine, 123i Labeled

    6. 3 Iodobenzylguanidine, 125i Labeled

    7. 3-iodobenzylguanidine

    8. 3-iodobenzylguanidine, 123i Labeled

    9. 3-iodobenzylguanidine, 125i Labeled

    10. Iobenguane

    11. M Iodobenzylguanidine

    12. M-iodobenzylguanidine

    13. Meta Iodobenzylguanidine

    14. Meta-iodobenzylguanidine

    15. Mibg

    2.3.2 Depositor-Supplied Synonyms

    1. Iobenguane I 131

    2. 77679-27-7

    3. 131i-mibg

    4. Azedra

    5. Iobenguane I-131

    6. I-131 Metaiodobenzylguanidine

    7. Metaiodobenzylguanidine I-131

    8. I-131 Mibg

    9. 3-iodobenzylguanidine (131i)

    10. Iobenguane, I-131

    11. 131 I-mibg

    12. Iobenguane (131 I)

    13. Mibg I-131

    14. (131i)-mibg

    15. Iodine (131i) Iobenguane

    16. (m-((sup 131)i)iodobenzyl)guanidine

    17. (m-iodo-(sup 131)i-benzyl)guanidine

    18. Iobenguane (131i) [inn]

    19. 3-iodobenzylguanidine, I-131

    20. Q461l7ak4r

    21. Guanidine, ((3-(iodo-(sup 131)i)phenyl)methyl)-

    22. 1-(3-(iodo-131i)benzyl)guanidine

    23. Iobeguane I 131

    24. M131ibg

    25. 3-iodobenzylguanidine (131i) (jan)

    26. Iobenguane I131

    27. Azedra (tn)

    28. 3-iodobenzylguanidine (131i) [jan]

    29. Iobenguano (131 I) [spanish]

    30. Iobenguano (131 I)

    31. Iobenguanum (131 I)

    32. Ultratrace Iobenguane I131

    33. Unii-q461l7ak4r

    34. Iobenguane I 131 [usan]

    35. Ultratrace Mibg

    36. Iobenguanum (131 I) [latin]

    37. Mibg-(131 I)

    38. Iobenguane I 131 [usan:usp]

    39. Iobenguane[131i]

    40. Mibg[radioiodinated]

    41. Starbld0007052

    42. Myomibg-123i Injection

    43. 131i-m-iodobenzylguanidine

    44. Ultratrace Iobenguane 131i

    45. Pheo Mibg-131i Injection

    46. [131i]mibg

    47. Iobenguane I 131 (usp)

    48. Iobenguane ((sup 131)i)

    49. Pheomibg-i 131 (tn)

    50. Pheomibg-i(131) Injection

    51. Chembl1615779

    52. Meta-iodobenzylguanidine (mibg) Labeled With Iodine-131

    53. Schembl13092741

    54. Dtxsid30228311

    55. I-131 Meta-iodobenzyl Guanidine

    56. Chebi:135997

    57. Moli000967

    58. Iobenguane (131 I) [who-dd]

    59. Iobenguane I-131 [orange Book]

    60. Iobenguane I 131 [usp Impurity]

    61. M-[123i/125i/131i]mibg

    62. Guanidine, ((3-iodo-131i)phenyl)methyl)-

    63. 2-[(3-(131i)iodanylphenyl)methyl]guanidine

    64. Cold Contaminant-free Iobenguane I-131

    65. D03308

    66. Q27286979

    67. Ultratrace Iodine I 131 Metaiodobenzylguanidine

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 279.09 g/mol
    Molecular Formula C8H10IN3
    XLogP31
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count2
    Exact Mass278.993599 g/mol
    Monoisotopic Mass278.993599 g/mol
    Topological Polar Surface Area64.4 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity166
    Isotope Atom Count1
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antineoplastic Agents

    Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)

    Enzyme Inhibitors

    Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)

    Radiopharmaceuticals

    Compounds that are used in medicine as sources of radiation for radiotherapy and for diagnostic purposes. They have numerous uses in research and industry. (Martindale, The Extra Pharmacopoeia, 30th ed, p1161) (See all compounds classified as Radiopharmaceuticals.)

    4.2 FDA Pharmacological Classification
    4.2.1 Active Moiety
    IOBENGUANE I-131
    4.2.2 FDA UNII
    Q461L7AK4R
    4.2.3 Pharmacological Classes
    Radiopharmaceutical Activity [MoA]; Radioactive Diagnostic Agent [EPC]
    4.3 ATC Code

    V - Various

    V09 - Diagnostic radiopharmaceuticals

    V09I - Tumour detection

    V09IX - Other diagnostic radiopharmaceuticals for tumour detection

    V09IX02 - Iobenguane (131I)

    V - Various

    V10 - Therapeutic radiopharmaceuticals

    V10X - Other therapeutic radiopharmaceuticals

    V10XA - Iodine (131i) compounds

    V10XA02 - Iobenguane (131I)