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Bicisate Dihydrochloride

Bicisate Dihydrochloride

Synopsis, Chemistry

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1 NDC API

1 NDC API

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2 Dossiers, 1 Europe, 1 Canada

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Also known as: 14344-58-2, Neurolite, B005p07v07, Cysteine, n,n'-ethylenedi-, diethyl ester, dihydrochloride, l-, L-cysteine, n,n'-1,2-ethanediylbis-, diethyl ester, dihydrochloride, L-cysteine, n,n'-1,2-ethanediylbis-, 1,1'-diethyl ester, hydrochloride (1:2)

Molecular Formula

C₁₂H₂₆Cl₂N₂O₄S₂

Molecular Weight

397.4 g/mol

InChI Key

HKASNZKRIQURIX-BZDVOYDHSA-N

FDA UNII

B005P07V07

1 2D Structure

Bicisate Dihydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl (2R)-2-[2-[[(2R)-1-ethoxy-1-oxo-3-sulfanylpropan-2-yl]amino]ethylamino]-3-sulfanylpropanoate;dihydrochloride

2.1.2 InChI

InChI=1S/C12H24N2O4S2.2ClH/c1-3-17-11(15)9(7-19)13-5-6-14-10(8-20)12(16)18-4-2;;/h9-10,13-14,19-20H,3-8H2,1-2H3;2*1H/t9-,10-;;/m0../s1

2.1.3 InChI Key

HKASNZKRIQURIX-BZDVOYDHSA-N

2.1.4 Canonical SMILES

CCOC(=O)C(CS)NCCNC(CS)C(=O)OCC.Cl.Cl

2.1.5 Isomeric SMILES

CCOC(=O)[C@H](CS)NCCN[C@@H](CS)C(=O)OCC.Cl.Cl

2.2 Other Identifiers

2.2.1 UNII

B005P07V07

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 99mtc Ethyl Cysteinate Dimer

2. 99mtc Ethylcysteinate Dimer

3. 99mtc-ecd

4. Neurolite

5. Tc-99m Ecd

6. Tc-99m-bicisate

7. Tc-99m-ecd

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

9. Tc-ethyl Cysteinate Dimer

10. Technetium Tc 99m Bicisate

11. Technetium Tc 99m Ethyl Cysteine Dimer

2.3.2 Depositor-Supplied Synonyms

1. 14344-58-2

2. Neurolite

3. B005p07v07

4. Cysteine, N,n'-ethylenedi-, Diethyl Ester, Dihydrochloride, L-

5. L-cysteine, N,n'-1,2-ethanediylbis-, Diethyl Ester, Dihydrochloride

6. L-cysteine, N,n'-1,2-ethanediylbis-, 1,1'-diethyl Ester, Hydrochloride (1:2)

7. (2r,2'r)-diethyl 2,2'-(ethane-1,2-diylbis(azanediyl))bis(3-mercaptopropanoate) Dihydrochloride

8. Diethyl 2,2'-(ethane-1,2-diylbis(azanediyl))(2r,2'r)-bis(3-mercaptopropanoate) Dihydrochloride

9. Ethyl (2r)-2-[2-[[(1r)-2-ethoxy-2-oxo-1-(sulfanylmethyl)ethyl]amino]ethylamino]-3-sulfanyl-propanoate Dihydrochloride

10. Ecd

11. Unii-b005p07v07

12. Dtxsid4046656

13. Mfcd08061488

14. Akos017343961

15. Bicisate Dihydrochloride [who-dd]

16. Ethylene Dicysteine Diester (ecd) 2 Hcl

17. Ethylene Dicysteine Diester (ecd) Dihydrochloride

18. Q27274207

19. Diethyl (2r,2'r)-2,2'-(ethane-1,2-diyldiimino)bis(3-mercaptopropanoate) Dihydrochloride

20. Ethyl (2r)-2-[2-[[(2r)-1-ethoxy-1-oxo-3-sulfanylpropan-2-yl]amino]ethylamino]-3-sulfanylpropanoate;dihydrochloride

2.4 Create Date

2013-07-08

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₂₆Cl₂N₂O₄S₂
Molecular Weight	397.4 g/mol
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	13
Exact Mass	396.0711050 g/mol
Monoisotopic Mass	396.0711050 g/mol
Topological Polar Surface Area	78.7 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	265
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

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.)