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    Bicisate Dihydrochloride

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    PharmaCompass
    Xls

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    2D Structure
    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

    2D Structure

    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 Weight 397.4 g/mol
    Molecular Formula C12H26Cl2N2O4S2
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count13
    Exact Mass396.0711050 g/mol
    Monoisotopic Mass396.0711050 g/mol
    Topological Polar Surface Area78.7 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity265
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
    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.)