CHEBI:90953 - sugammadex

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ChEBI Name sugammadex ChEBI ID CHEBI:90953 Definition An 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C72H112O48S8 Net Charge 0 Average Mass 2002.162 Monoisotopic Mass 2000.40887 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 WHRODDIHRRDWEW-VTHZAVIASA-N SMILES O1[C@H](CSCCC(=O)O)[C@@H]2[C@H](O)[C@@H](O)[C@H]1O[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]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@@H]([C@@H]([C@H]9O)O)O2)CSCCC(=O)O)CSCCC(=O)O)CSCCC(=O)O)CSCCC(=O)O)CSCCC(=O)O)CSCCC(O)=O)CSCCC(=O)O Roles Classification Application(s): neuromuscular agent A drug used for its actions on skeletal muscle. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 sugammadex(8−) (CHEBI:90957) is conjugate base of sugammadex (CHEBI:90953) INN Source sugammadex ChemIDplus Manual Xrefs Databases 4233 DrugCentral Sugammadex Wikipedia View more database links Registry Number Type Source 343306-71-8 CAS Registry Number ChemIDplus Citations Types Sources 26271275 PubMed citation Europe PMC 26322661 PubMed citation Europe PMC 26351827 PubMed citation Europe PMC 26394365 PubMed citation Europe PMC 26398716 PubMed citation Europe PMC 26401735 PubMed citation Europe PMC 26409923 PubMed citation Europe PMC 26418697 PubMed citation Europe PMC 26437545 PubMed citation Europe PMC 26437551 PubMed citation Europe PMC 26437552 PubMed citation Europe PMC 26449072 PubMed citation Europe PMC 26456087 PubMed citation Europe PMC 26472231 PubMed citation Europe PMC 26485626 PubMed citation Europe PMC 26505986 PubMed citation Europe PMC 26508869 PubMed citation Europe PMC 26533808 PubMed citation Europe PMC 26534102 PubMed citation Europe PMC 26558858 PubMed citation Europe PMC 26558863 PubMed citation Europe PMC 26558864 PubMed citation Europe PMC 26564297 PubMed citation Europe PMC 26597732 PubMed citation Europe PMC 26634077 PubMed citation Europe PMC 26646837 PubMed citation Europe PMC 26673602 PubMed citation Europe PMC 26684534 PubMed citation Europe PMC 26685122 PubMed citation Europe PMC 26747019 PubMed citation Europe PMC 26748952 PubMed citation Europe PMC 26750413 PubMed citation Europe PMC 26750414 PubMed citation Europe PMC Last Modified 22 February 2017