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    Sugammadex

    ACTIVE PHARMA INGREDIENTS

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    2D Structure
    Also known as: 343306-79-6, Bridion, Org 25969, Org-25969, Erj6x2mxv7, 343306-71-8
    Molecular Formula
    C72H104Na8O48S8
    Molecular Weight
    2178.0  g/mol
    InChI Key
    KMGKABOMYQLLDJ-VKHHSAQNSA-F
    FDA UNII
    ERJ6X2MXV7
    A gamma-cyclodextrin that functions as a reversal agent for the neuromuscular blocker ROCURONIUM BROMIDE.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    octasodium;3-[[(1S,3S,5S,6S,8S,10S,11S,13S,15S,16S,18S,20S,21S,23S,25S,26S,28S,30S,31S,33S,35S,36S,38S,40S,41R,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56R)-10,15,20,25,30,35,40-heptakis(2-carboxylatoethylsulfanylmethyl)-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecahydroxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-5-yl]methylsulfanyl]propanoate
    2.1.2 InChI
    InChI=1S/C72H112O48S8.8Na/c73-33(74)1-9-121-17-25-57-41(89)49(97)65(105-25)114-58-26(18-122-10-2-34(75)76)107-67(51(99)43(58)91)116-60-28(20-124-12-4-36(79)80)109-69(53(101)45(60)93)118-62-30(22-126-14-6-38(83)84)111-71(55(103)47(62)95)120-64-32(24-128-16-8-40(87)88)112-72(56(104)48(64)96)119-63-31(23-127-15-7-39(85)86)110-70(54(102)46(63)94)117-61-29(21-125-13-5-37(81)82)108-68(52(100)44(61)92)115-59-27(19-123-11-3-35(77)78)106-66(113-57)50(98)42(59)90;;;;;;;;/h25-32,41-72,89-104H,1-24H2,(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,81,82)(H,83,84)(H,85,86)(H,87,88);;;;;;;;/q;8*+1/p-8/t25-,26-,27-,28-,29-,30-,31-,32-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-;;;;;;;;/m1......../s1
    2.1.3 InChI Key
    KMGKABOMYQLLDJ-VKHHSAQNSA-F
    2.1.4 Canonical SMILES
    C(CSCC1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(C(C8O)O)OC9C(OC(O2)C(C9O)O)CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])O)O)C(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
    2.1.5 Isomeric SMILES
    C(CSC[C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@H](O2)[C@@H]([C@H]9O)O)CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])O)O)C(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    ERJ6X2MXV7
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 6-perdeoxy-6-per(2-carboxyethyl)thio-gamma-cyclodextrin Sodium Salt

    2. Bridion

    3. Org 25969

    4. Sugammadex

    2.3.2 Depositor-Supplied Synonyms

    1. 343306-79-6

    2. Bridion

    3. Org 25969

    4. Org-25969

    5. Erj6x2mxv7

    6. 343306-71-8

    7. Sugammadex Octasodium Salt

    8. Sugammadex (sodium)

    9. Unii-erj6x2mxv7

    10. Sugammadex Sodium [usan]

    11. Sugammadexsodium

    12. Sugammadex Sodium [usan:jan]

    13. Bridion (tn)

    14. Mk-8616

    15. Org25969

    16. Sugammadex Sodium (jan/usan)

    17. Sugammadex Sodium [jan]

    18. Chebi:90952

    19. Sugammadex Sodium [mart.]

    20. Sugammadex Sodium [who-dd]

    21. Amy12422

    22. Ex-a2600

    23. Sch-900616

    24. Sugammadex Octasodium Salt [mi]

    25. Sugammadex Sodium [orange Book]

    26. Ac-30384

    27. C13789

    28. D05940

    29. .gamma.-cyclodextrin, 6a,6b,6c,6d,6e,7f,6g,6h-octakis-s-(2-carboxyethyl)-6a,6b,6c,6d,6e,7f,6g,6h-octathio-, Octasodium Salt

    30. Gamma-cyclodextrin, 6a,6b,6c,6d,6e,7f,6g,6h-octakis-s-(2-carboxyethyl)-6a,6b,6c,6d,6e,7f,6g,6h-octathio-, Octasodium Salt

    31. Octasodium 6,6',6'',6''',6'''',6''''',6'''''',6'''''''-octakis-s-(2-carboxylatoethyl)-6,6',6'',6''',6'''',6''''',6'''''',6'''''''-octathiocyclo-alpha-(1-4)-d-octaglucopyranoside

    2.4 Create Date
    2006-07-28
    3 Chemical and Physical Properties
    Molecular Weight 2178.0 g/mol
    Molecular Formula C72H104Na8O48S8
    Hydrogen Bond Donor Count16
    Hydrogen Bond Acceptor Count56
    Rotatable Bond Count32
    Exact Mass2176.2644287 g/mol
    Monoisotopic Mass2176.2644287 g/mol
    Topological Polar Surface Area995 Ų
    Heavy Atom Count136
    Formal Charge0
    Complexity2790
    Isotope Atom Count0
    Defined Atom Stereocenter Count40
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count9
    4 Drug and Medication Information
    4.1 Drug Indication

    Reversal of neuromuscular blockade induced by rocuronium or vecuronium.

    For the peadiatric population: sugammadex is only recommended for routine reversal of rocuronium-induced blockade in children and adolescents.

    Reversal of neuromuscular blockade induced by rocuronium or vecuronium in adults.

    For the paediatric population: sugammadex is only recommended for routine reversal of rocuronium induced blockade in children and adolescents aged 2 to 17 years.

    Reversal of neuromuscular blockade induced by rocuronium or vecuronium in adults.

    For the paediatric population: sugammadex is only recommended for routine reversal of rocuronium induced blockade in children and adolescents aged 2 to 17 years.

    5 Pharmacology and Biochemistry
    5.1 ATC Code

    V03AB35

    V03AB35

    V03AB35