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2D Structure
Also known as: Thallium(i) chloride, Thallous chloride, Thallium monochloride, 7791-12-0, Thallium(1+) chloride, Chlorothallium
Molecular Formula
ClTl
Molecular Weight
239.83  g/mol
InChI Key
GBECUEIQVRDUKB-UHFFFAOYSA-M

Thallous Chloride Tl-201 is the chloride salt form of thallium-201, a cyclotron produced isotope use in diagnostic imaging. Thallous chloride TI-201 accumulates in myocardial cells and other tissues in an analogous way as potassium, and can be evaluated as a function of blood flow. By scintigraphic means, areas with decreased blood flow, consisting of ischemic cells, can be visualized due to decreased uptake of TI-201 in contrast to areas with normal blood flow.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
chlorothallium
2.1.2 InChI
InChI=1S/ClH.Tl/h1H;/q;+1/p-1
2.1.3 InChI Key
GBECUEIQVRDUKB-UHFFFAOYSA-M
2.1.4 Canonical SMILES
Cl[Tl]
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Thallium Chloride, (201)tl-labeled

2. Thallium Chloride, (203)tl,(35)cl-labeled

3. Thallium Chloride, (203)tl,(37)cl-labeled

4. Thallium Chloride, (205)tl,(35)cl-labeled

5. Thallium Chloride, (205)tl,(37)cl-labeled

6. Thallium Monochloride

7. Thallous Chloride

2.2.2 Depositor-Supplied Synonyms

1. Thallium(i) Chloride

2. Thallous Chloride

3. Thallium Monochloride

4. 7791-12-0

5. Thallium(1+) Chloride

6. Chlorothallium

7. Tlcl

8. Thallium Chloride (tlcl)

9. Thallium Chloride (van)

10. Mfcd00011274

11. Thallous Chloride Tl-201

12. Rcra Waste Number U216

13. Hsdb 6066

14. Einecs 232-241-4

15. Nsc 15197

16. Rcra Waste No. U216

17. Chloridothallium

18. Unii-37cb58v15b

19. [tlcl]

20. Wln: Tl G

21. Thallium Chloride, (tlcl)

22. Thallium(i) Chloride, 99%

23. Chebi:37117

24. Thallium(i) Chloride, Ultra Dry

25. Nsc15197

26. Akos015916191

27. Db09316

28. Q425234

29. Thallium(i) Chloride, 99.999% Trace Metals Basis

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 239.83 g/mol
Molecular Formula ClTl
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass239.94328 g/mol
Monoisotopic Mass239.94328 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count2
Formal Charge0
Complexity2
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Drug Indication

For use as a diagnostic radiopharmaceutical. It is indicated to help diagnose heart disease (eg, coronary artery disease, heart attack). It is also used for the diagnosis of parathyroid problems.


5 Pharmacology and Biochemistry
5.1 Pharmacology

Data not found.


5.2 FDA Pharmacological Classification
5.2.1 Pharmacological Classes
Radiopharmaceutical Activity [MoA]; Radioactive Diagnostic Agent [EPC]
5.3 Absorption, Distribution and Excretion

Absorption

After IV administration, thallous chloride clears rapidly from the blood, with maximum concentration in the myocardium after about 10 min. Only 5-8% of injected activity remained in the blood, following 5 minutes of intravenous administration.


Route of Elimination

Thallous Chloride Tl 201 is excreted slowly and to an equal extent in both feces and urine.


Volume of Distribution

310 L/kg


Clearance

Approximately 4-8% of the injected dose was excreted in the urine in the first 24 hours. The whole body disappearance half-time was 9.8 2.5 days. Kidney concentration was found to be about 3 percent of the injected activity and the testicular content was 0.15 percent. Net thyroid activity was determined to be only 0.2 percent of the injected dose, and the activity disappeared in 24 hours. From anterior and posterior whole-body scans, it was determined that about 45 percent of the injected dose was in the large intestines and contiguous structures (liver, kidneys, abdominal musculature).


In acute thallium poisoning, human brain areas densely populated with neurons were found to accumulate thallium more than other areas, and the gray matter contained higher thallium levels than nonneural tissues. /Soluble thallium cmpd/

Seiler, H.G., H. Sigel and A. Sigel (eds.). Handbook on the Toxicity of Inorganic Compounds. New York, NY: Marcel Dekker, Inc. 1988., p. 680


5.4 Metabolism/Metabolites

Data not found


5.5 Biological Half-Life

91% of the blood radioactivity has a t1/2 of 5 min. 9% has t1/2 of 40 hours.


BODY BURDEN AS % OF ADMIN DOSE WAS DETERMINED IN RATS FOLLOWING ADMIN OF (204)THALLIUM ... OVER A PERIOD OF 21 DAYS. BODY CLEARANCE /OCCURRED/ ... EXPONENTIALLY WITH HALFTIME 3.3 DAYS ... AT THE END OF 21 DAYS ... 1% OF ADMIN DOSE REMAINED. ... WITH BIOLOGICAL HALF-TIME OF 3.3 DAYS ... DAILY DOSING /GIVES/ AN EQUILIBRIUM ... @ 20 DAYS. /SOLUBLE THALLIUM SALTS/

Friberg, L., Nordberg, G.F., Kessler, E. and Vouk, V.B. (eds). Handbook of the Toxicology of Metals. 2nd ed. Vols I, II.: Amsterdam: Elsevier Science Publishers B.V., 1986., p. V2 555


5.6 Mechanism of Action

Thallous Chloride TI201 without carrier, accumulates in the heart (myocardium) in a similar way to that of potassium. Thallous Chloride Tl 201 images have been found to visualize areas of infarction as cold or nonlabeled regions which are confirmed by electrocardiographic and enzyme changes. Regions of transient myocardial ischemia corresponding to areas perfused by coronary arteries with partial stenoses have been visualized when Thallous Chloride Tl 201 was administered in conjunction with an exercise stress test. Anatomic configurations may interfere with visualization of the right coronary artery.


... STUDY INVOLVING /THALLIUM SOLUBLE SALTS EFFECTS ON MOUSE CELL CULTURES SHOWED/ ... CYTOPATHIC EFFECTS ... GREATLY ENLARGED MITOCHONDRIA IN AXONS OF PERIPHERAL NERVE FIBERS. ... MECHANISM /CONCERNS INACTIVATION OF/ ... SH GROUPS THAT /ALLOW/ ... INCR PERMEABILITY OF MITOCHONDRIA LEADING TO WATER INFLUX & SWELLING. /THALLIUM CMPD/

Clayton, G. D. and F. E. Clayton (eds.). Patty's Industrial Hygiene and Toxicology: Volume 2A, 2B, 2C: Toxicology. 3rd ed. New York: John Wiley Sons, 1981-1982., p. 1927


TRIVALENT THALLIUM COMPOUNDS ARE SOMEWHAT LESS TOXIC THAN ARE THALLIUM ION COMPOUNDS ... THALLIUM ACTS AS A MITOTIC AGENT & GENERAL CELLULAR POISON. CELLULAR ACCUM OF THALLIUM IN MUSCLE & OTHER TISSUES CAUSES DERANGEMENT OF NORMAL CELLULAR METABOLISM ... HIGH THALLIUM CONCN IN BLOOD AGGLUTINATES ERYTHROCYTES & LYSES THEM FOLLOWING THALLIUM ION ACCUMMULATION WITHIN ERYTHROCYTES. /THALLIUM SALTS/

Venugopal, B. and T.D. Luckey. Metal Toxicity in Mammals, 2. New York: Plenum Press, 1978., p. 125


Thallium inhibits enzymes, but nothing is really known of a biochemical lesion. In fatal cases, there usually is extensive peripheral paralysis and cardiovascular involvement. The immediate cause of death may be peripheral respiratory failure of cardiac arrest. /Thallium/

Hayes, W.J., Jr., E.R. Laws, Jr., (eds.). Handbook of Pesticide Toxicology. Volume 2. Classes of Pesticides. New York, NY: Academic Press, Inc., 1991., p. 526