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    Chemistry

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    Also known as: 92921-24-9, Sulfo-smcc sodium, Sodium 1-((4-((2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)methyl)cyclohexanecarbonyl)oxy)-2,5-dioxopyrrolidine-3-sulfonate, Sulfo-smcc (sodium), Sulfo-smcc crosslinker, Hh32d7tn36
    Molecular Formula
    C16H17N2NaO9S
    Molecular Weight
    436.4  g/mol
    InChI Key
    VUFNRPJNRFOTGK-UHFFFAOYSA-M
    FDA UNII
    HH32D7TN36
    Sulfo-Smcc
    1 2D Structure

    Sulfo-Smcc

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;1-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]oxy-2,5-dioxopyrrolidine-3-sulfonate
    2.1.2 InChI
    InChI=1S/C16H18N2O9S.Na/c19-12-5-6-13(20)17(12)8-9-1-3-10(4-2-9)16(23)27-18-14(21)7-11(15(18)22)28(24,25)26;/h5-6,9-11H,1-4,7-8H2,(H,24,25,26);/q;+1/p-1
    2.1.3 InChI Key
    VUFNRPJNRFOTGK-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    C1CC(CCC1CN2C(=O)C=CC2=O)C(=O)ON3C(=O)CC(C3=O)S(=O)(=O)[O-].[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    HH32D7TN36
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Sulfosuccinimidyl 4-(n-maleimidomethyl)cyclohexane-1-carboxylate

    2.3.2 Depositor-Supplied Synonyms

    1. 92921-24-9

    2. Sulfo-smcc Sodium

    3. Sodium 1-((4-((2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)methyl)cyclohexanecarbonyl)oxy)-2,5-dioxopyrrolidine-3-sulfonate

    4. Sulfo-smcc (sodium)

    5. Sulfo-smcc Crosslinker

    6. Hh32d7tn36

    7. 92921-24-9 (sodium)

    8. Sodium 1-((4-((2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)methyl)cyclohexane-1-carbonyl)oxy)-2,5-dioxopyrrolidine-3-sulfonate

    9. Sulfo-n-succinimidyl 4-(maleimidomethyl)cyclohexane-1-carboxylate Sodium Salt

    10. 4-(maleimidomethyl)cyclohexane-1-carboxylic Acid 3-sulfo-n-hydroxysuccinimide Ester Sodium Salt

    11. 3-pyrrolidinesulfonic Acid, 1-(((4-((2,5-dihydro-2,5-dioxo-1h-pyrrol-1-yl)methyl)cyclohexyl)carbonyl)oxy)-2,5-dioxo-, Sodium Salt

    12. Cyclohexanecarboxylic Acid, 4-((2,5-dihydro-2,5-dioxo-1h-pyrrol-1-yl)methyl)-, 2,5-dioxo-3-sulfo-1-pyrrolidinyl Ester, Sodium Salt (1:1)

    13. Sodium;1-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]oxy-2,5-dioxopyrrolidine-3-sulfonate

    14. Sulfo-smcc Sodium Salt

    15. Unii-hh32d7tn36

    16. Schembl18344257

    17. Dtxsid80404961

    18. Hy-d0975

    19. Mfcd00054978

    20. Akos022186734

    21. Sulphosuccinimidyl-4-(n-maleimidomethyl)cyclohexane-1-carboxylate Sodium Salt

    22. Cs-7553

    23. Sb19635

    24. Ac-33930

    25. As-11382

    26. Bp-22644

    27. Bp-24304

    28. Ft-0674774

    29. S0883

    30. H10470

    31. 3-sulfo-n-succinimidyl 4-(n-maleimidomethyl)cyclohexane-1-carboxylate Sodium Salt

    32. Sulfo-n-succinimidyl 4-(maleimidomethyl)cyclohexane-1-carboxylate, Sodium Salt, 90%

    33. Sulfo-n-succinimidyl 4-(maleimidomethyl)cyclohexane-1-carboxylate, Sodium Salt, 90per Cent

    34. 4-(2,5-dioxo-1h-pyrrole-1-ylmethyl)cyclohexanecarboxylic Acid 3-(sodiosulfo)-2,5-dioxopyrrolizino

    35. 4-(n-maleimidomethyl)cyclohexane-1-carboxylic Acid 3-sulfo-n-hydroxysuccinimide Ester Sodium Salt, Powder

    36. 4beta-[(2,5-dioxo-2,5-dihydro-1h-pyrrole-1-yl)methyl]cyclohexane-1alpha-carboxylic Acid 3-(sodiosulfo)succinimidyl Ester

    37. Sodium 1-{4-[(2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)methyl]cyclohexanecarbonyloxy}-2,5-dioxopyrrolidine-3-sulfonate

    38. Sodium1-((4-((2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)methyl)cyclohexanecarbonyl)oxy)-2,5-dioxopyrrolidine-3-sulfonate

    2.4 Create Date
    2005-09-16
    3 Chemical and Physical Properties
    Molecular Weight 436.4 g/mol
    Molecular Formula C16H17N2NaO9S
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count6
    Exact Mass436.05524558 g/mol
    Monoisotopic Mass436.05524558 g/mol
    Topological Polar Surface Area167 Ų
    Heavy Atom Count29
    Formal Charge0
    Complexity853
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

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