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    Sulfobutylether-β-Cydodextrin (SBECD)

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    REF. STANDARDS & IMPURITIES

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    2D Structure
    Also known as: Sulfobutyl ether beta-cyclodextrin, Sodiumsulphobutylether-beta-cyclodextrin, A880893, Beta-cyclodextrin sulfobutyl ether, sodium salts;sodium sulphobutylether-beta-cyclodextrin, Sbe-afae'a centa' nota inverted exclamation markafasa'a, Afae'adaggeratrade markafa centa centasa nota em leadera inverted exclamation mark-cd
    Molecular Formula
    C50H84Na2O41S2
    Molecular Weight
    1451.3  g/mol
    InChI Key
    RGQYVQYXCZODQW-UHFFFAOYSA-L
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    disodium;4-[[36,37,38,39,40,41,42,43,44,45,46,48,49-tridecahydroxy-5,15,20,25,30,35-hexakis(hydroxymethyl)-47-(4-sulfonatobutoxy)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]methoxy]butane-1-sulfonate
    2.1.2 InChI
    InChI=1S/C50H86O41S2.2Na/c51-9-16-36-23(57)29(63)45(78-16)86-38-18(11-53)80-47(31(65)25(38)59)88-40-20(13-55)82-49(33(67)27(40)61)90-42-22(15-76-5-1-3-7-92(70,71)72)84-50(43(35(42)69)77-6-2-4-8-93(73,74)75)91-41-21(14-56)83-48(34(68)28(41)62)89-39-19(12-54)81-46(32(66)26(39)60)87-37-17(10-52)79-44(85-36)30(64)24(37)58;;/h16-69H,1-15H2,(H,70,71,72)(H,73,74,75);;/q;2*+1/p-2
    2.1.3 InChI Key
    RGQYVQYXCZODQW-UHFFFAOYSA-L
    2.1.4 Canonical SMILES
    C(CCS(=O)(=O)[O-])COCC1C2C(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(O2)C(C8O)O)CO)CO)CO)CO)CO)CO)OCCCCS(=O)(=O)[O-])O.[Na+].[Na+]
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Betadex Sulfobutyl Ether Sodium

    2. Captisol

    3. Sbe-beta-cd

    4. Sbe4-beta-cd

    5. Sbe4-beta-cyclodextrin

    6. Sulfobutyl Ether Beta-cyclodextrin

    7. Sulfobutylether-beta-cyclodextrin

    8. Sulfobutylether-betacd

    9. Sulfurbutylether-beta-cyclodextrin

    10. Sulphobutylether-betacd

    2.2.2 Depositor-Supplied Synonyms

    1. Sulfobutyl Ether Beta-cyclodextrin

    2. Sodiumsulphobutylether-beta-cyclodextrin

    3. A880893

    4. Beta-cyclodextrin Sulfobutyl Ether, Sodium Salts;sodium Sulphobutylether-beta-cyclodextrin

    5. Sbe-afae'a Centa' Nota Inverted Exclamation Markafasa'a

    6. Afae'adaggeratrade Markafa Centa Centasa Nota Em Leadera Inverted Exclamation Mark-cd

    2.3 Create Date
    2012-11-27
    3 Chemical and Physical Properties
    Molecular Weight 1451.3 g/mol
    Molecular Formula C50H84Na2O41S2
    Hydrogen Bond Donor Count19
    Hydrogen Bond Acceptor Count41
    Rotatable Bond Count17
    Exact Mass1450.3724830 g/mol
    Monoisotopic Mass1450.3724830 g/mol
    Topological Polar Surface Area663 Ų
    Heavy Atom Count95
    Formal Charge0
    Complexity2460
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count35
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Excipients

    Usually inert substances added to a prescription in order to provide suitable consistency to the dosage form. These include binders, matrix, base or diluent in pills, tablets, creams, salves, etc. (See all compounds classified as Excipients.)