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2D Structure
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

2D Structure

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 Weight 436.3 g/mol
Molecular Formula C12H21N2O5S2Tc+
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass435.995439 g/mol
Monoisotopic Mass435.995439 g/mol
Topological Polar Surface Area84.7 Ų
Heavy Atom Count22
Formal Charge1
Complexity313
Isotope Atom Count1
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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