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    Chemistry

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    Also known as: 109581-73-9, Cardiolite, Sestamibi, Technetium tc-99m sestamibi, Technetium tc 99m sestamibi, 1-isocyano-2-methoxy-2-methylpropane;technetium
    Molecular Formula
    C36H66N6O6Tc
    Molecular Weight
    775.9  g/mol
    InChI Key
    KNMLZCYLMYOYBD-UHFFFAOYSA-N
    FDA UNII
    971Z4W1S09
    Sestamibi
    1 2D Structure

    Sestamibi

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-isocyano-2-methoxy-2-methylpropane;technetium
    2.1.2 InChI
    InChI=1S/6C6H11NO.Tc/c6*1-6(2,8-4)5-7-3;/h6*5H2,1-2,4H3;
    2.1.3 InChI Key
    KNMLZCYLMYOYBD-UHFFFAOYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    971Z4W1S09
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 109581-73-9

    2. Cardiolite

    3. Sestamibi

    4. Technetium Tc-99m Sestamibi

    5. Technetium Tc 99m Sestamibi

    6. 1-isocyano-2-methoxy-2-methylpropane;technetium

    7. Technetium (99m Tc) Sestamibi

    8. 99mtc Sestamibi

    9. 99mtc Hexamibi

    10. 99m Tc-sestamibi

    11. 99m-tc Sestamibi

    12. Sestamibi [vandf]

    13. Schembl548709

    14. Tc99m Rp-30a

    15. Tc99m-rp-30a

    16. Technetium (mtc) Sestamibi [inn]

    17. 971z4w1s09

    18. Db09161

    19. Technetium Tc-99m Sestamibi Kit

    20. Technetium Tc 99m Sestamibi [mi]

    21. Technetium Tc 99m Sestamibi [usan]

    22. Technetium Tc 99m Sestamibi [vandf]

    23. Technetium (99m Tc) Sestamibi [who-dd]

    24. Technetium Tc-99m Sestamibi Kit [orange Book]

    2.4 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 775.9 g/mol
    Molecular Formula C36H66N6O6Tc
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count12
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area81.5
    Heavy Atom Count49
    Formal Charge0
    Complexity109
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count7
    4 Pharmacology and Biochemistry
    4.1 FDA Pharmacological Classification
    4.1.1 Pharmacological Classes
    Radiopharmaceutical Activity [MoA]; Radioactive Diagnostic Agent [EPC]
    4.2 ATC Code

    V - Various

    V09 - Diagnostic radiopharmaceuticals

    V09G - Cardiovascular system

    V09GA - Technetium (99mtc) compounds

    V09GA01 - Technetium (99mTc) sestamibi

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