CHEBI:90952 - sugammadex sodium

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ChEBI Name sugammadex sodium
ChEBI ID CHEBI:90952
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C72H104Na8O48S8
Net Charge 0
Average Mass 2178.017
Monoisotopic Mass 2176.264
InChI InChI=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
InChIKey KMGKABOMYQLLDJ-VKHHSAQNSA-F
SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].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 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 25969 ChemIDplus
Manual Xrefs Databases
D05940 KEGG DRUG
Sugammadex Wikipedia
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Registry Numbers Types Sources
343306-79-6 CAS Registry Number KEGG DRUG
343306-79-6 CAS Registry Number ChemIDplus
9115720 Reaxys Registry Number Reaxys
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Last Modified
15 January 2016