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    Beta-Cyclodextrin API

    ACTIVE PHARMA INGREDIENTS

    INTERMEDIATES

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    PharmaCompass
    $ API Ref.Price (USD/KG) : 119Xls

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    2D Structure
    Also known as: Betadex, Cycloheptaamylose, Cyclomaltoheptaose, Cycloheptaglucan, 7585-39-9, Kleptose
    Molecular Formula
    C42H70O35
    Molecular Weight
    1135.0  g/mol
    InChI Key
    WHGYBXFWUBPSRW-FOUAGVGXSA-N
    FDA UNII
    JV039JZZ3A
    -cyclodextrin is a natural product found in Romanoa with data available.
    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(hydroxymethyl)-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/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-63H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m1/s1
    2.1.3 InChI Key
    WHGYBXFWUBPSRW-FOUAGVGXSA-N
    2.1.4 Canonical SMILES
    C(C1C2C(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)O)O)O
    2.1.5 Isomeric SMILES
    C([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)CO)CO)CO)CO)CO)CO)O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    JV039JZZ3A
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Betadex

    2. Cyclo-epta-amylose

    3. Cycloheptaamylose

    4. Cyclomaltoheptaose

    2.3.2 Depositor-Supplied Synonyms

    1. Betadex

    2. Cycloheptaamylose

    3. Cyclomaltoheptaose

    4. Cycloheptaglucan

    5. 7585-39-9

    6. Kleptose

    7. Cycloheptaglucosan

    8. B-cyclodextrin

    9. Beta-cycloamylose

    10. Cycloheptapentylose

    11. .beta.-cyclodextrin

    12. Cyclodextrin B

    13. Kleptose B

    14. Rhodocap N

    15. Ringdex B

    16. Ringdex Bl

    17. Beta-cd

    18. Betacd

    19. Oristar Bcd

    20. Ringdex-b

    21. Beta-cyclodextrine

    22. Maltodecaose Dp10

    23. Cyclodextrin, Beta-

    24. Beta-schardinger Dextrin

    25. Cavamax W7

    26. Jv039jzz3a

    27. Caraway

    28. Schardinger Beta-dextrin

    29. Beta-cyclodextrin, Homopolymer

    30. Ins No.459

    31. Chebi:495055

    32. Ins-459

    33. Nsc-269471

    34. Nsc-314334

    35. Ncgc00090771-01

    36. E459

    37. Dsstox_cid_358

    38. E-459

    39. Dsstox_rid_75536

    40. Dsstox_gsid_20358

    41. 37331-89-8

    42. 79647-56-6

    43. Bcd

    44. Beta -cyclodextrin

    45. Beta-cyclodextrins

    46. Cas-7585-39-9

    47. Dextrin, Beta-cyclo

    48. Unii-jv039jzz3a

    49. Ccris 651

    50. Ss-cyclodextrin

    51. Betadex [usan:inn:ban:nf]

    52. 1dmb

    53. 2zyn

    54. Beta-cyclo-dextrin

    55. Einecs 231-493-2

    56. Mfcd00078139

    57. Betadex (nf/inn)

    58. Nsc 314334

    59. Schardinger A-dextrin

    60. 2y4s

    61. 3ck8

    62. 3m3r

    63. Ai3-29233

    64. Betadex [inn]

    65. Betadex [ii]

    66. Betadex [mart.]

    67. Betadex [who-dd]

    68. Bdbm11

    69. Ec 231-493-2

    70. Beta-cyclodextrin, >=97%

    71. Schembl24215

    72. Betadex [ep Monograph]

    73. Chembl415690

    74. Beta-cyclodextrin [fcc]

    75. Dtxsid1020358

    76. .beta.-cyclodextrin [mi]

    77. Beta Cyclodextrin [usp-rs]

    78. .beta.-cyclodextrin [fhfi]

    79. Heptakis(hydroxymethyl)[?]tetradecol

    80. Tox21_111017

    81. Tox21_201006

    82. Akos015900444

    83. Tox21_111017_1

    84. Db03995

    85. Nsc 269471

    86. Alfadex Impurity A [ep Impurity]

    87. Ncgc00090771-02

    88. Ncgc00090771-03

    89. Ncgc00090771-04

    90. Ncgc00258559-01

    91. Hy-107201

    92. Cs-0027620

    93. C-9120

    94. D02401

    95. Q27077120

    96. Betadex, European Pharmacopoeia (ep) Reference Standard

    97. D047392000

    98. Cycloheptakis-(1->4)-(.alpha.-d-glucopyranosyl)

    99. Beta-cyclodextrin, Produced By Wacker Chemie Ag, Burghausen, Germany

    100. Beta Cyclodextrin, United States Pharmacopeia (usp) Reference Standard

    101. Beta-cyclodextrin, Powder, Bioreagent, Suitable For Cell Culture, >=97%

    102. Beta-cyclodextrin, Pharmaceutical Secondary Standard; Certified Reference Material

    103. Beta-cyclodextrin, Produced By Wacker Chemie Ag, Burghausen, Germany, >=95.0% (hplc)

    104. Beta-cyclodextrin, Produced By Wacker Chemie Ag, Burghausen, Germany, Life Science, >=98.0% (hplc)

    105. Wurcs=2.0/1,7,7/[a2122h-1a_1-5]/1-1-1-1-1-1-1/a1-g4_a4-b1_b4-c1_c4-d1_d4-e1_e4-f1_f4-g1

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 1135.0 g/mol
    Molecular Formula C42H70O35
    XLogP3-15
    Hydrogen Bond Donor Count21
    Hydrogen Bond Acceptor Count35
    Rotatable Bond Count7
    Exact Mass1134.3697639 g/mol
    Monoisotopic Mass1134.3697639 g/mol
    Topological Polar Surface Area554 Ų
    Heavy Atom Count77
    Formal Charge0
    Complexity1480
    Isotope Atom Count0
    Defined Atom Stereocenter Count35
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Food Additives

    Substances used in the processing or storage of foods or animal feed including ANTIOXIDANTS; FOOD PRESERVATIVES; FOOD COLORING AGENTS; FLAVORING AGENTS; ANTI-INFECTIVE AGENTS; EXCIPIENTS and other similarly used substances. Many of the same substances are used as PHARMACEUTIC AIDS. (See all compounds classified as Food Additives.)

    Sequestering Agents

    Compounds that bind to and reduce the biological availability of a chemical or pharmaceutical agent. (See all compounds classified as Sequestering Agents.)