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CHEBI:90953 - sugammadex

Default Structure
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
Biological Role:
anti-obesity agent  Any substance which is used to reduce or control weight.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
neuromuscular agent  A drug used for its actions on skeletal muscle.
renoprotective agent  Any compound that is able to prevent damage to the kidneys.
antidote to organophosphate poisoning  A role borne by a molecule that acts to counteract or neutralise the deleterious effects of organophosphates or acetylcholinesterase inhibitors (nerve agents).
ChEBI Ontology
Outgoing Relation(s)
sugammadex (CHEBI:90953) has functional parent γ-cyclodextrin (CHEBI:495056)
sugammadex (CHEBI:90953) has role anti-obesity agent (CHEBI:74518)
sugammadex (CHEBI:90953) has role antidote to organophosphate poisoning (CHEBI:90753)
sugammadex (CHEBI:90953) has role antineoplastic agent (CHEBI:35610)
sugammadex (CHEBI:90953) has role neuromuscular agent (CHEBI:51372)
sugammadex (CHEBI:90953) has role renoprotective agent (CHEBI:231911)
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
4233DrugCentral
SugammadexWikipedia
Registry NumbersSources
CAS:343306-71-8ChemIDplus
Citations