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    Suproclone

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 76535-71-2, 77590-92-2, J4am5d708g, 37 162 r.p., 37-162-rp, 37 162 r.p
    Molecular Formula
    C22H22ClN5O4S2
    Molecular Weight
    520.0  g/mol
    InChI Key
    IBAUKGNDWVSETP-UHFFFAOYSA-N
    FDA UNII
    J4AM5D708G
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [6-(7-chloro-1,8-naphthyridin-2-yl)-5-oxo-3,7-dihydro-2H-[1,4]dithiino[2,3-c]pyrrol-7-yl] 4-propanoylpiperazine-1-carboxylate
    2.1.2 InChI
    InChI=1S/C22H22ClN5O4S2/c1-2-16(29)26-7-9-27(10-8-26)22(31)32-21-18-17(33-11-12-34-18)20(30)28(21)15-6-4-13-3-5-14(23)24-19(13)25-15/h3-6,21H,2,7-12H2,1H3
    2.1.3 InChI Key
    IBAUKGNDWVSETP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC(=O)N1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=C(C=C4)C=CC(=N5)Cl)SCCS3
    2.2 Other Identifiers
    2.2.1 UNII
    J4AM5D708G
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 76535-71-2

    2. 77590-92-2

    3. J4am5d708g

    4. 37 162 R.p.

    5. 37-162-rp

    6. 37 162 R.p

    7. Suproclona

    8. Suproclonum

    9. Suproclone [usan:inn]

    10. Einecs 278-486-0

    11. Unii-j4am5d708g

    12. Rp 37162

    13. Suproclone [inn]

    14. Suproclone (usan/inn)

    15. Suproclone [usan]

    16. Schembl113028

    17. Chembl2105531

    18. Dtxsid00868445

    19. Zinc01481925

    20. (+-)-6-(7-chlor-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5h-1,4-dithiixino(2,3-c)pyrrol-5-yl 4-propionyl-1-piperazincarboxylat

    21. 37162-rp

    22. 4-propinyl-1-piperazincarbonsaeure, Ester Mit (+-)-6-(7-chlor-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-hydroxy-5h-4-dithiino(2,3-c)pyrrol-5-on

    23. 6-(7-chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5h-1,4-dithiino(2,3-c)pyrrol-5-yl 4-propionylpiperazine-1-carboxylate

    24. Rp-37162

    25. D05975

    26. Q7645151

    27. 1-piperazinecarboxylic Acid, 4-(1-oxopropyl)-, 6-(7-chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5h-1,4-dithiino(2,3-c)pyrrol-5-yl Ester, (+-)-

    28. 4-(1-oxopropyl)-1-piperazinecarboxylic Acid [6-(7-chloro-1,8-naphtyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5h-1,4-dithiino[2,3-c]pyrrol]-5-yl Ester

    29. 4-propionyl-1-piperazinecarboxylic Acid, Ester With (+-)-6-(7-chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-hydroxy-5h-p-dithiino(2,3-c)pyrrol-5-one

    30. 6-(7-chloro-1,8-naphthyridin-2-yl)-7-oxo-2,3,6,7-tetrahydro-5h-[1,4]dithiino[2,3-c]pyrrol-5-yl 4-propanoylpiperazine-1-carboxylate

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 520.0 g/mol
    Molecular Formula C22H22ClN5O4S2
    XLogP32.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count4
    Exact Mass519.0801742 g/mol
    Monoisotopic Mass519.0801742 g/mol
    Topological Polar Surface Area147 Ų
    Heavy Atom Count34
    Formal Charge0
    Complexity868
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1