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2D Structure
Also known as: Cardio-spect, 103694-84-4, Copper(1+);1-isocyano-2-methoxy-2-methylpropane;tetrafluoroborate, Tetrakis (2-methoxyisobutylisonitrile) copper (i) tetrafluoroborate, Cardioite, Copper tetramibi tetrafluoroborate
Molecular Formula
C24H44BCuF4N4O4
Molecular Weight
603.0  g/mol
InChI Key
WJRFSUVOHUMYAO-UHFFFAOYSA-N
FDA UNII
N6OU7HJ70P

Tetrakis (2-methoxyisobutylisocyanide) copper (I) tetrafluoroborate is a component of Cardiolite, a technetium Tc99m-based imaging agent used for assessing myocardial perfusion.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
copper(1+);1-isocyano-2-methoxy-2-methylpropane;tetrafluoroborate
2.1.2 InChI
InChI=1S/4C6H11NO.BF4.Cu/c4*1-6(2,8-4)5-7-3;2-1(3,4)5;/h4*5H2,1-2,4H3;;/q;;;;-1;+1
2.1.3 InChI Key
WJRFSUVOHUMYAO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
[B-](F)(F)(F)F.CC(C)(C[N+]#[C-])OC.CC(C)(C[N+]#[C-])OC.CC(C)(C[N+]#[C-])OC.CC(C)(C[N+]#[C-])OC.[Cu+]
2.2 Other Identifiers
2.2.1 UNII
N6OU7HJ70P
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Cardio-spect

2. 103694-84-4

3. Copper(1+);1-isocyano-2-methoxy-2-methylpropane;tetrafluoroborate

4. Tetrakis (2-methoxyisobutylisonitrile) Copper (i) Tetrafluoroborate

5. Cardioite

6. Copper Tetramibi Tetrafluoroborate

7. Cardiospect

8. Cardioite [who-dd]

9. N6ou7hj70p

10. Dtxsid601026679

11. Mfcd02092733

12. Db14106

13. Ft-0700047

14. Propane, 1-isocyano-2-methoxy-2-methyl-, Copper Complex

15. Tetrakis(1-isocyano-2-methoxy-2-methyl-propane)-copper(i) Tetrafluoroborate

16. Tetrakis(2-methoxyisobutylisocyanide)copper(i) Tetrafluoroborate [ii]

17. Tetrakis(2-methoxyisobutylisonitril)copper (i) Tetrafluoroborate

18. Tetrakis (2-methoxy Isobutyl Isonitrile) Copper (i) Tetrafluoroborate

19. Tetrakis (2-methoxyisobutylisonitrile) Copper (i) Tetrafluoroborate,98%

20. Copper(1+), Tetrakis(1-(isocyano-.kappa.c)-2-methoxy-2-methylpropane)-, (t-4)-, Tetrafluoroborate(1-)

2.4 Create Date
2015-11-11
3 Chemical and Physical Properties
Molecular Weight 603.0 g/mol
Molecular Formula C24H44BCuF4N4O4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Exact Mass602.268771 g/mol
Monoisotopic Mass602.268771 g/mol
Topological Polar Surface Area54.4 Ų
Heavy Atom Count38
Formal Charge0
Complexity128
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count6