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Technetium Tc 99M Bicisate

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Also known as: Technetium tc 99m bicisate, Technetium (99mtc) bicisate, 121281-41-2, (n,n'-ethylenedi-l-cysteinato(3-))oxo((sup 99m)tc)technetium(v), diethyl ester, H25wja31xe, (2r)-3-ethoxy-2-[2-[(2r)-1-ethoxy-1-oxo-3-sulfidopropan-2-yl]azanidylethylamino]-3-oxopropane-1-thiolate;oxo(99tc)technetium-99(4+)

Molecular Formula

C₁₂H₂₁N₂O₅S₂Tc+

Molecular Weight

436.3 g/mol

InChI Key

JYXUFIBQASHILB-DLGXYJAYSA-L

1 2D Structure

Technetium Tc 99M Bicisate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R)-3-ethoxy-2-[2-[(2R)-1-ethoxy-1-oxo-3-sulfidopropan-2-yl]azanidylethylamino]-3-oxopropane-1-thiolate;oxo(99Tc)technetium-99(4+)

2.1.2 InChI

InChI=1S/C12H23N2O4S2.O.Tc/c1-3-17-11(15)9(7-19)13-5-6-14-10(8-20)12(16)18-4-2;;/h9-10,13,19-20H,3-8H2,1-2H3;;/q-1;;+4/p-2/t9-,10-;;/m0../s1/i;;1+1

2.1.3 InChI Key

JYXUFIBQASHILB-DLGXYJAYSA-L

2.1.4 Canonical SMILES

CCOC(=O)C(C[S-])NCC[N-]C(C[S-])C(=O)OCC.O=[Tc+4]

2.1.5 Isomeric SMILES

CCOC(=O)[C@H](C[S-])NCC[N-][C@@H](C[S-])C(=O)OCC.O=[99Tc+4]

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 99mtc Ethyl Cysteinate Dimer

2. 99mtc Ethylcysteinate Dimer

3. 99mtc-ecd

4. Tc-99m Ecd

5. Tc-99m-bicisate

6. Tc-99m-ecd

7. Tc-99m-l,l-ecd

8. Tc-ethyl Cysteinate Dimer

9. Technetium Tc 99m Bicisate

10. Technetium Tc 99m Ethyl Cysteine Dimer

2.2.2 Depositor-Supplied Synonyms

1. Technetium Tc 99m Bicisate

2. Technetium (99mtc) Bicisate

3. 121281-41-2

4. (n,n'-ethylenedi-l-cysteinato(3-))oxo((sup 99m)tc)technetium(v), Diethyl Ester

5. H25wja31xe

6. (2r)-3-ethoxy-2-[2-[(2r)-1-ethoxy-1-oxo-3-sulfidopropan-2-yl]azanidylethylamino]-3-oxopropane-1-thiolate;oxo(99tc)technetium-99(4+)

7. Technetium (99m Tc) Bicisate

8. Technetium (99mtc) Bicisate [inn]

9. Technetium-(sup 99m)tc, ((diethyl N,n'-1,2-ethanediylbis(l-cysteinato))(3-)-n,n',s,s')oxo-, (sp-5-35)-

10. Unii-h25wja31xe

11. Technetii (99m Tc) Bicisas

12. Technetii (99m Tc) Bicisas [inn-latin]

13. Bicisato De Tecnecio (99m Tc)

14. Bicisato De Tecnecio (99m Tc) [inn-spanish]

15. Bicisate De Technetium (99m Tc)

16. Bicisate De Technetium (99m Tc) [inn-french]

17. Tc-99m-bicisate

18. Tc-ethyl Cysteinate Dimer

19. 99mtc Ethylcysteinate Dimer

20. Technetium Tc 99m Bicisate [usan:usp:inn:ban]

21. 99mtc Ethyl Cysteinate Dimer

22. Technetium Tc 99m Ethyl Cysteine Dimer

23. Technetium-(sup 99 M)tc, ((diethyl N,n'-1,2-ethanediylbis(l-cysteinato))(3-)-n,n',s,s')oxo-, (sp-5-35)-

24. Technetium-99tc, ((diethyl N,n'-1,2-ethanediylbis(l-cysteinato-kappan,kappas))(3-))oxo-, (sp-5-35

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₂₁N₂O₅S₂Tc+
Molecular Weight	436.3 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Exact Mass	435.995439 g/mol
Monoisotopic Mass	435.995439 g/mol
Topological Polar Surface Area	84.7 Å²
Heavy Atom Count	22
Formal Charge	1
Complexity	313
Isotope Atom Count	1
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

4 Pharmacology and Biochemistry

4.1 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.)

4.2 ATC Code

V - Various

V09 - Diagnostic radiopharmaceuticals

V09A - Central nervous system

V09AA - Technetium (99mtc) compounds

V09AA02 - Technetium (99mTc) bicisate

FDF Dossiers