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Substance Name: Sugammadex [USAN:INN:BAN]
RN: 343306-71-8
UNII: 361LPM2T56
InChIKey: WHRODDIHRRDWEW-VTHZAVIASA-N

Note

  • A reversal agent for neuromuscular blocker rocuronium bromide.

Molecular Formula

  • C72-H112-O48-S8

Molecular Weight

  • 2002.1568
 
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Names and Synonyms

Name of Substance

  • Sugammadex [USAN:INN:BAN]

Synonyms

  • 361LPM2T56
  • Bridion
  • Sugammadex
  • UNII-361LPM2T56

Registry Numbers

CAS Registry Number

  • 343306-71-8

FDA UNII

  • 361LPM2T56

System Generated Number

  • 0343306718

Structure Descriptors

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

WHRODDIHRRDWEW-VTHZAVIASA-N

Smiles

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