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    Hydroxypropyl Betadex

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    DIGITAL CONTENT

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    REF. STANDARDS & IMPURITIES

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    2D Structure
    Also known as: 107745-73-3, Hp-beta-cd, 2-hydroxypropyl-, A-cyclodextrin, 6a,6b,6c,6d,6e,6f,6g-heptakis-o-(2-hydroxypropyl)-beta-cyclodextrin, Trappsol hpb
    Molecular Formula
    C63H112O42
    Molecular Weight
    1541.5  g/mol
    InChI Key
    ODLHGICHYURWBS-LKONHMLTSA-N
    Derivative of beta-cyclodextrin that is used as an excipient for steroid drugs and as a lipid chelator.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(2-hydroxypropoxymethyl)-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]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
    2.1.2 InChI
    InChI=1S/C63H112O42/c1-22(64)8-85-15-29-50-36(71)43(78)57(92-29)100-51-30(16-86-9-23(2)65)94-59(45(80)38(51)73)102-53-32(18-88-11-25(4)67)96-61(47(82)40(53)75)104-55-34(20-90-13-27(6)69)98-63(49(84)42(55)77)105-56-35(21-91-14-28(7)70)97-62(48(83)41(56)76)103-54-33(19-89-12-26(5)68)95-60(46(81)39(54)74)101-52-31(17-87-10-24(3)66)93-58(99-50)44(79)37(52)72/h22-84H,8-21H2,1-7H3/t22?,23?,24?,25?,26?,27?,28?,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-/m1/s1
    2.1.3 InChI Key
    ODLHGICHYURWBS-LKONHMLTSA-N
    2.1.4 Canonical SMILES
    CC(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)COCC(C)O)COCC(C)O)COCC(C)O)COCC(C)O)COCC(C)O)COCC(C)O)O)O)O
    2.1.5 Isomeric SMILES
    CC(COC[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](O2)[C@@H]([C@H]8O)O)COCC(C)O)COCC(C)O)COCC(C)O)COCC(C)O)COCC(C)O)COCC(C)O)O)O)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 2 Hydroxypropyl Beta Cyclodextrin

    2. 2 Hydroxypropyl-beta-cyclodextrin

    3. 2-hydroxypropyl-beta-cyclodextrin

    4. Beta Hydroxypropylcyclodextrin

    5. Beta-hydroxypropylcyclodextrin

    6. Betadex, Hydroxypropyl

    7. Hp-beta-cd

    8. Hpbetacd

    9. Hydroxypropyl Beta Cyclodextrin

    10. Hydroxypropyl Betadex

    11. Hydroxypropyl-beta-cyclodextrin

    2.2.2 Depositor-Supplied Synonyms

    1. 107745-73-3

    2. Hp-beta-cd

    3. 2-hydroxypropyl-

    4. A-cyclodextrin

    5. 6a,6b,6c,6d,6e,6f,6g-heptakis-o-(2-hydroxypropyl)-beta-cyclodextrin

    6. Trappsol Hpb

    7. Hydroxypropylbetadex

    8. Thpb

    9. Hydroxypropyl-beta-cyclodextri

    10. Hydroxypropyl-beta Cyclodextrin

    11. Chembl577294

    12. Dtxsid401017375

    13. .beta.-cyclodextrin, 6a,6b,6c,6d,6e,6f,6g-heptakis-o-(2-hydroxypropyl)-

    14. 6a,6b,6c,6d,6e,6f,6g-heptakis-o-(2-hydroxypropyl)-beta-cyclodextrinr

    2.3 Create Date
    2007-02-09
    3 Chemical and Physical Properties
    Molecular Weight 1541.5 g/mol
    Molecular Formula C63H112O42
    XLogP3-13
    Hydrogen Bond Donor Count21
    Hydrogen Bond Acceptor Count42
    Rotatable Bond Count28
    Exact Mass1540.6628176 g/mol
    Monoisotopic Mass1540.6628176 g/mol
    Topological Polar Surface Area619 Ų
    Heavy Atom Count105
    Formal Charge0
    Complexity2010
    Isotope Atom Count0
    Defined Atom Stereocenter Count35
    Undefined Atom Stereocenter Count7
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    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.)