Octakis-(6-bromo-6-deoxy)-gamma-cyclodextrin-d24

CAS: 53784-84-2

Ref. TR-O237127

Product Information

• Name: Octakis-(6-bromo-6-deoxy)-gamma-cyclodextrin-d24
• Synonyms: 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]hexapentacontane-gamma-cyclodextrin-d24 Derivative, 6A,6B,6C,6D,6E,6F,6G,6H-Octabromo-6A,6B,6C,6D,6E,6F,6G,6H-octadeoxy-gamma-cyclodextrin, 6-Bromo-6-deoxy-gamma-cyclodextrin-d24, 6-Bromo-6-deoxy-gamma-cyclodextrin-d24, γ-Cyclodextrin, 6A,6B,6C,6D,6E,6F,6G,6H-octabromo-6A,6B,6C,6D,6E,6F,6G,6H-octadeoxy-, 6A,6B,6C,6D,6E,6F,6G,6H-Octabromo-6A,6B,6C,6D,6E,6F,6G,6H-octadeoxy-γ-cyclodextrin, Octakis-(6-bromo-6-deoxy)-γ-cyclodextrin, 6-Bromo-6-deoxy-γ-cyclodextrin, 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]hexapentacontane, γ-cyclodextrin deriv.

Description

Applications Octakis-(6-bromo-6-deoxy)-γ-cyclodextrin-d24 is an intermediate in synthesizing Sugammadex Sodium-deuterated (S698102), which is the first in a class of drugs called selective relaxant binding agents that offers improved termination of the paralytic effects of neuromuscular blocking agents and may have many potential peri-operative benefits.
References Welliver, M., et al.: Drug Des. Devel. Ther., 2, 49 (2008)

• Brand: TRC

Chemical properties

• Molecular weight: 1824.446
• Formula: C₄₈D₂₄H₄₈Br₈O₃₂
• Color/Form: Neat
• InChI: InChI=1S/C48H72Br8O32/c49-1-9-33-17(57)25(65)41(73-9)82-34-10(2-50)75-43(27(67)19(34)59)84-36-12(4-52)77-45(29(69)21(36)61)86-38-14(6-54)79-47(31(71)23(38)63)88-40-16(8-56)80-48(32(72)24(40)64)87-39-15(7-55)78-46(30(70)22(39)62)85-37-13(5-53)76-44(28(68)20(37)60)83-35-11(3-51)74-42(81-33)26(66)18(35)58/h9-48,57-72H,1-8H2/t9-,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?,43-,44-,45-,46-,47-,48-/m1/s1/i1D2,2D2,3D2,4D2,5D2,6D2,7D2,8D2,25D,26D,27D,28D,29D,30D,31D,32D
• InChI key: InChIKey=ONWAJCGYJSVQSX-MZBSPJSASA-N
• SMILES: [2H]C([2H])(Br)[C@H]1O[C@@H]2O[C@@H]3[C@@H](C([2H])([2H])Br)O[C@H](O[C@@H]4[C@@H](C([2H])([2H])Br)O[C@H](O[C@@H]5[C@@H](C([2H])([2H])Br)O[C@H](O[C@H]6C(O)[C@@]([2H])(O)[C@@H](O[C@@H]7[C@@H](C([2H])([2H])Br)OC(O[C@@H]8[C@@H](C([2H])([2H])Br)O[C@H](O[C@@H]9[C@@H](C([2H])([2H])Br)O[C@H](O[C@H]1C(O)[C@]2([2H])O)[C@]([2H])(O)[C@H]9O)[C@]([2H])(O)[C@H]8O)[C@]([2H])(O)[C@H]7O)O[C@@H]6C([2H])([2H])Br)[C@@]([2H])(O)[C@H]5O)[C@@]([2H])(O)[C@H]4O)[C@@]([2H])(O)[C@H]3O