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    Exametazime

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    FINISHED DOSAGE FORMULATIONS

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    2D Structure
    Also known as: 105613-48-7, Dl hm-pao, G29272nckl, Hexametazime, Exametazima, Exametazimum
    Molecular Formula
    C13H28N4O2
    Molecular Weight
    272.39  g/mol
    InChI Key
    BPNZYADGDZPRTK-UDUYQYQQSA-N
    FDA UNII
    G29272NCKL
    Exametazime is a diagnostic radiopharmaceutical agent commonly used for the preparation of Tc99m Exametazime injection. It acts as a chelating agent for the radioisotope technetium-99m to form a cationic complex. It is used in the detection of altered regional cerebral perfusion and for the radiolabeling of autologous leukocytes.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (NE)-N-[(3R)-3-[[3-[[(2R,3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]butan-2-ylidene]hydroxylamine
    2.1.2 InChI
    InChI=1S/C13H28N4O2/c1-9(11(3)16-18)14-7-13(5,6)8-15-10(2)12(4)17-19/h9-10,14-15,18-19H,7-8H2,1-6H3/b16-11+,17-12+/t9-,10-/m1/s1
    2.1.3 InChI Key
    BPNZYADGDZPRTK-UDUYQYQQSA-N
    2.1.4 Canonical SMILES
    CC(C(=NO)C)NCC(C)(C)CNC(C)C(=NO)C
    2.1.5 Isomeric SMILES
    C[C@@H](NCC(CN[C@@H](/C(=N/O)/C)C)(C)C)/C(=N/O)/C
    2.2 Other Identifiers
    2.2.1 UNII
    G29272NCKL
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3,3'-((2,2,-dimethyl-1,3-propanediyl)diimino)bis-2-butanone Dioxime, (r*,r*-(e,e))-

    2.3.2 Depositor-Supplied Synonyms

    1. 105613-48-7

    2. Dl Hm-pao

    3. G29272nckl

    4. Hexametazime

    5. Exametazima

    6. Exametazimum

    7. Hmpao

    8. Dl-hm-pao

    9. Dl-hmpao

    10. Exametazimum [latin]

    11. Exametazima [spanish]

    12. Unii-g29272nckl

    13. Technetium Tc99m Exametazime

    14. Hexamethylpropylene Amine Oxide

    15. Exametazime [usan:inn:ban:jan]

    16. Meso-rich Exametazime

    17. Exametazime [ii]

    18. Exametazime [mi]

    19. Exametazime [inn]

    20. Exametazime [jan]

    21. Exametazime [usan]

    22. Dsstox_cid_31403

    23. Dsstox_rid_97289

    24. D,1-hexamethylpropylene Amine Oxime-(sup 99m)tc

    25. Dsstox_gsid_57614

    26. Exametazime [who-dd]

    27. Schembl137569

    28. Exametazime (jan/usan/inn)

    29. Chembl1615781

    30. Dtxsid1057614

    31. Chebi:31586

    32. Ex-a4790

    33. Tox21_113984

    34. (+-)-(3rs,3'rs)-3,3'-((2,2-dimethyltrimethylene)diimino)di-2-butanone (e,e)-dioxime

    35. Dl-hexamethylpropylene Amine Oxide

    36. Ncgc00319018-01

    37. Ac-29748

    38. Cas-105613-48-7

    39. D01109

    40. 2-butanone, 3,3'-((2,2-dimethyl-1,3-propanediyl)diimino)bis-dioxime-(sup 99m)tc

    41. (+/-)-(3rs,3'rs)-3,3'-((2,2-dimethyltrimethylene)diimino)di-2-butanone (e,e)-dioxime

    42. (ne)-n-[(3r)-3-[[3-[[(2r,3e)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethylpropyl]amino]butan-2-ylidene]hydroxylamine

    43. 2-butanone, 3,3'-((2,2-dimethyl-1,3-propanediyl)diimino)bis-, Dioxime, (r*,r*-(e,e))-(+-)-

    44. 2-butanone, 3,3'-((2,2-dimethyl-1,3-propanediyl)diimino)bis-, Dioxime, (r*,r*-(e,e))-(+/-)-

    2.4 Create Date
    2006-10-23
    3 Chemical and Physical Properties
    Molecular Weight 272.39 g/mol
    Molecular Formula C13H28N4O2
    XLogP31.4
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count8
    Exact Mass272.22122615 g/mol
    Monoisotopic Mass272.22122615 g/mol
    Topological Polar Surface Area89.2 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity297
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count2
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1