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CHEBI:90953 - sugammadex

ChEBI IDCHEBI:90953
ChEBI Namesugammadex
Stars
DefinitionAn octasaccharide derivative that is γ-cyclodextrin in which all eight primary hydroxy groups are replaced by 2-(carboxyethyl)sulfanyl groups. Used (as the octasodium salt) for reversal of neuromuscular blockade induced by rocuronium and vecuronium in adults undergoing surgery.
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC72H112O48S8
Net Charge0
Average Mass2002.176
Monoisotopic Mass2000.40887
SMILESO=C(O)CCSC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]9CSCCC(=O)O)O[C@@H]8CSCCC(=O)O)O[C@@H]7CSCCC(=O)O)O[C@@H]6CSCCC(=O)O)O[C@@H]5CSCCC(=O)O)O[C@@H]4CSCCC(=O)O)O[C@@H]3CSCCC(=O)O
InChIInChI=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
InChIKeyWHRODDIHRRDWEW-VTHZAVIASA-N
Wikipedia
Roles Classification
Application:
neuromuscular agent  A drug used for its actions on skeletal muscle.
ChEBI Ontology
Outgoing Relation(s)
sugammadex (CHEBI:90953) has functional parent γ-cyclodextrin (CHEBI:495056)
sugammadex (CHEBI:90953) has role neuromuscular agent (CHEBI:51372)
sugammadex (CHEBI:90953) is a octasaccharide derivative (CHEBI:71061)
sugammadex (CHEBI:90953) is a organic sulfide (CHEBI:16385)
sugammadex (CHEBI:90953) is conjugate acid of sugammadex(8−) (CHEBI:90957)
Incoming Relation(s)
sugammadex(8−) (CHEBI:90957) is conjugate base of sugammadex (CHEBI:90953)
INN  Source
sugammadexChemIDplus
Manual XrefsDatabases
SugammadexWikipedia
4233DrugCentral
Registry NumbersSources
CAS:343306-71-8ChemIDplus
Citations