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Methoxy isobutyl isonitrile

CAT: 0804-HY-200621Size: 1 EachDry Ice: NoHazardous: No
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Description
Methoxyisobutylisonitrile is a radioactive compound that can form a complex with technetium-99m and be used as a tracer to diagnose lung lesions and malignant thyroid nodules, etc[1][2].
CAS Number
109434-22-2
UNSPSC
12352211
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Cancer
Smiles
CC(C)(OC)C[N+]#[C-]
Molecular Formula
C6H11NO
Molecular Weight
113.16
References & Citations
[1]Kim SJ, et al. Diagnostic Performance of Technetium-99m Methoxy-Isobutyl-Isonitrile for Differentiation of Malignant Thyroid Nodules: A Systematic Review and Meta-Analysis. Thyroid. 2018 Oct;28 (10) :1339-1348.|[2]Zhang S, Liu Y. Diagnostic Performances of 99mTc-Methoxy Isobutyl Isonitrile Scan in Predicting the Malignancy of Lung Lesions: A Meta-Analysis. Medicine (Baltimore) . 2016 May;95 (18) :e3571.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-Methoxyisobutyl isonitrile

See also: Technetium Tc 99m sestamibi [USAN:USP:INN:BAN] (annotation moved to); Technetium (annotation moved to); Technetium Tc 99m sestamibi (annotation moved to).

CAS Number109434-22-2
PubChem CID130600
IUPAC Name1-isocyano-2-methoxy-2-methylpropane
Molecular FormulaC6H11NO
Molecular Weight113.16
XLogP0.4
Topological Polar Surface Area13.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity109
SMILES
CC(C)(C[N+]#[C-])OC
InChI
InChI=1S/C6H11NO/c1-6(2,8-4)5-7-3/h5H2,1-2,4H3
InChIKey
LJJFNFYPZOHRHM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methoxyisobutyl isonitrile
CAS: 109434-22-2
CID: 130600
Formula: C6H11NO
MW: 113.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight113.16
XLogP30.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass113.084063974
Monoisotopic Mass113.084063974
Topological Polar Surface Area13.6 Ų
Heavy Atom Count8
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 Count1
Compound Is CanonicalizedYes

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