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Chemistry

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Also known as: Technetium tc 99m sestamibi (usp), Technetium (99mtc)-sestamibi, Chebi:9423, D01060
Molecular Formula
C36H72N6O6Tc
Molecular Weight
781.9  g/mol
InChI Key
WLRGEKXAJZHVHX-UHFFFAOYSA-N

Technetium Tc 99M Sestamibi (USP)
1 2D Structure

Technetium Tc 99M Sestamibi (USP)

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-(2-methoxy-2-methylpropyl)methanimine;technetium(6+)
2.1.2 InChI
InChI=1S/6C6H12NO.Tc/c6*1-6(2,8-4)5-7-3;/h6*3H,5H2,1-2,4H3;/q6*-1;+6
2.1.3 InChI Key
WLRGEKXAJZHVHX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)(CN=[CH-])OC.CC(C)(CN=[CH-])OC.CC(C)(CN=[CH-])OC.CC(C)(CN=[CH-])OC.CC(C)(CN=[CH-])OC.CC(C)(CN=[CH-])OC.[Tc+6]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Technetium Tc 99m Sestamibi (usp)

2. Technetium (99mtc)-sestamibi

3. Chebi:9423

4. D01060

2.3 Create Date
2005-03-25
3 Chemical and Physical Properties
Molecular Weight 781.9 g/mol
Molecular Formula C36H72N6O6Tc
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count18
Rotatable Bond Count18
Exact Mass781.45769 g/mol
Monoisotopic Mass781.45769 g/mol
Topological Polar Surface Area130 Ų
Heavy Atom Count49
Formal Charge0
Complexity649
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count7

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