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CHEBI:90952 - sugammadex sodium

ChEBI IDCHEBI:90952
ChEBI Namesugammadex sodium
Stars
DefinitionAn organic sodium salt that is the octasodium salt of sugammadex. Used for reversal of neuromuscular blockade induced by rocuronium and vecuronium in adults undergoing surgery.
Last Modified15 January 2016
SubmitterSteve
DownloadsMolfile
FormulaC72H104O48S8.8Na
Net Charge0
Average Mass2178.032
Monoisotopic Mass2176.26443
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-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C72H112O48S8.8Na/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);;;;;;;;/q;8*+1/p-8/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
InChIKeyKMGKABOMYQLLDJ-VKHHSAQNSA-F
Wikipedia
Roles Classification
Application:
neuromuscular agent  A drug used for its actions on skeletal muscle.
ChEBI Ontology
Outgoing Relation(s)
sugammadex sodium (CHEBI:90952) has part sugammadex(8−) (CHEBI:90957)
sugammadex sodium (CHEBI:90952) has role neuromuscular agent (CHEBI:51372)
sugammadex sodium (CHEBI:90952) is a organic sodium salt (CHEBI:38700)
Synonym  Source
Org 25969ChemIDplus
Manual XrefsDatabases
D05940KEGG DRUG
SugammadexWikipedia
Registry NumbersSources
Reaxys:9115720Reaxys
CAS:343306-79-6KEGG DRUG
CAS:343306-79-6ChemIDplus
Citations