Sugammadex

CAS Registry Number®

343306-71-8
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CAS Name

Sugammadex

Molecular Formula

C72H112O48S8

Molecular Mass

2002.15

Cite this Page

Sugammadex.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=343306-71-8 (retrieved 2024-06-16) (CAS RN: 343306-71-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C72H112O48S8/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)/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

InChIKey

InChIKey=WHRODDIHRRDWEW-VBAJLPTGSA-N

SMILES

C(SCCC(O)=O)[C@@H]1[C@]2(O[C@]3(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]3O)(O[C@]4(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]4O)(O[C@]5(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]5O)(O[C@]6(O[C@H](CSCCC(O)=O)[C@@](O[C@]7(O[C@H](CSCCC(O)=O)[C@@](O[C@]8(O[C@H](CSCCC(O)=O)[C@@](O[C@]9(O[C@H](CSCCC(O)=O)[C@@](O[C@@](O1)([C@H](O)[C@H]2O)[H])([C@H](O)C9O)[H])[H])([C@H](O)C8O)[H])[H])([C@H](O)[C@H]7O)[H])[H])([C@H](O)[C@H]6O)[H])[H])[H])[H])[H])[H])[H])[H])[H]

Canonical SMILES

O=C(O)CCSCC1OC2OC3C(O)C(O)C(OC3CSCCC(=O)O)OC4C(O)C(O)C(OC4CSCCC(=O)O)OC5C(O)C(O)C(OC5CSCCC(=O)O)OC6C(O)C(O)C(OC6CSCCC(=O)O)OC7C(O)C(O)C(OC7CSCCC(=O)O)OC8C(O)C(O)C(OC8CSCCC(=O)O)OC9C(O)C(O)C(OC9CSCCC(=O)O)OC1C(O)C2O

Other Names for this Substance

  • γ-Cyclodextrin, 6A,6B,6C,6D,6E,6F,6G,6H-octakis-S-(2-carboxyethyl)-6A,6B,6C,6D,6E,6F,6G,6H-octathio-
  • 6A,6B,6C,6D,6E,6F,6G,6H-Octakis-S-(2-carboxyethyl)-6A,6B,6C,6D,6E,6F,6G,6H-octathio-γ-cyclodextrin
  • Sugammadex
  • Bridion
  • Sugammadex acid

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