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2D Structure
Also known as: 66516-09-4, Mertiatide [inn], Mag3, Mercaptoacetyltriglycine, Glycine, n-(mercaptoacetyl)glycylglycyl-, 8nvy8268my
Molecular Formula
C8H13N3O5S
Molecular Weight
263.27  g/mol
InChI Key
RXACEEPNTRHYBQ-UHFFFAOYSA-N
FDA UNII
8NVY8268MY

A technetium diagnostic aid used in renal function determination.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid
2.1.2 InChI
InChI=1S/C8H13N3O5S/c12-5(2-10-7(14)4-17)9-1-6(13)11-3-8(15)16/h17H,1-4H2,(H,9,12)(H,10,14)(H,11,13)(H,15,16)
2.1.3 InChI Key
RXACEEPNTRHYBQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C(C(=O)NCC(=O)O)NC(=O)CNC(=O)CS
2.2 Other Identifiers
2.2.1 UNII
8NVY8268MY
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 99m Mercaptoacetylglycyl-glycyl-glycine, Technetium

2. 99m Mertiatide, Tc

3. 99mtc Mag3

4. 99mtc Mercaptoacetyltriglycine

5. 99mtc-mag3

6. 99mtc-mercaptoacetyltriglycine

7. Mag3, Technescan

8. Mercaptoacetylglycyl-glycyl-glycine, Technetium 99m

9. Mertiatide, Tc 99m

10. Tc 99m Mertiatide

11. Technescan Mag3

12. Technetium 99m Mag3

13. Technetium 99m Mercaptoacetylglycyl Glycyl Glycine

14. Technetium 99m Mercaptoacetylglycyl-glycyl-glycine

15. Technetium 99m Mercaptoacetylglycylglycylglycine

16. Technetium 99m Mercaptoacetyltriglycine

17. Technetium Tc 99m Mertiatide

18. Technetium-99m-mag3

19. Technetium-99m-mercaptoacetylglycylglycylglycine

20. Technetium-99m-mercaptoacetyltriglycine

2.3.2 Depositor-Supplied Synonyms

1. 66516-09-4

2. Mertiatide [inn]

3. Mag3

4. Mercaptoacetyltriglycine

5. Glycine, N-(mercaptoacetyl)glycylglycyl-

6. 8nvy8268my

7. 2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic Acid

8. N-(2-mercaptoacetyl)glycylglycylglycine; Mag 3; Mercaptoacetylglycylglycylglycine; Mercaptoacetyltriglycine

9. Unii-8nvy8268my

10. 99mtc-mercaptoacetyltriglycine

11. Technetium-99m-mercaptoacetylglycylglycylglycine

12. Mag 3

13. Mertiatide [who-dd]

14. Schembl136462

15. Mercaptoacetylglycylglycylglycine

16. Chembl1615778

17. Dtxsid70216717

18. Zinc4194756

19. N-(2-mercaptoacetyl)glycylglycylglycine

20. Glycine, N-(2-mercaptoacetyl)glycylglycyl-

21. Ft-0714429

22. N-(n-(n-(mercaptoacetyl)glycyl)glycyl)glycine

23. Q27270797

24. 2-(2-(2-(2-mercaptoacetamido)acetamido)acetamido)acetic Acid

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 263.27 g/mol
Molecular Formula C8H13N3O5S
XLogP3-1.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass263.05759170 g/mol
Monoisotopic Mass263.05759170 g/mol
Topological Polar Surface Area126 Ų
Heavy Atom Count17
Formal Charge0
Complexity320
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 Information
1 of 2  
Drug NameTechnescan mag3
Drug LabelTechneScan MAG3 is a kit for the preparation of technetium Tc 99m mertiatide, a diagnostic radiopharmaceutical. It is supplied as a sterile, nonpyrogenic, lyophilized powder. Each vial contains betiatide (N-[N-[N-[(benzoylthio) acetyl]glycyl]glycy...
Active IngredientTechnetium tc-99m mertiatide kit
Dosage FormInjectable
RouteInjection
Strengthn/a
Market StatusPrescription
CompanyMallinckrodt

2 of 2  
Drug NameTechnescan mag3
Drug LabelTechneScan MAG3 is a kit for the preparation of technetium Tc 99m mertiatide, a diagnostic radiopharmaceutical. It is supplied as a sterile, nonpyrogenic, lyophilized powder. Each vial contains betiatide (N-[N-[N-[(benzoylthio) acetyl]glycyl]glycy...
Active IngredientTechnetium tc-99m mertiatide kit
Dosage FormInjectable
RouteInjection
Strengthn/a
Market StatusPrescription
CompanyMallinckrodt

5 Pharmacology and Biochemistry
5.1 MeSH Pharmacological Classification

Radiopharmaceuticals

Compounds that are used in medicine as sources of radiation for radiotherapy and for diagnostic purposes. They have numerous uses in research and industry. (Martindale, The Extra Pharmacopoeia, 30th ed, p1161) (See all compounds classified as Radiopharmaceuticals.)