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Chemical structure of Sugammadex sodium

GC19340

Sugammadex sodium

Also known as octasodium;3-[[(1S,3S,5S,6S,8S,10S,11S,13S,15S,16S,18S,20S,21S,23S,25S,26S,28S,30S,31S,33S,35S,36S,38S,40S,41R,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56R)-10,15,20,25,30,35,40-heptakis(2-carboxylatoethylsulfanylmethyl)-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecahydroxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-5-yl]methylsulfanyl]propanoate

Sugammadex sodium is a synthetic γ-cyclodextrin derivative, and acts as a new reversal agent for neuromuscular block

ChemicalCAS343306-79-6MW2178.01FormulaC72H104Na8O48S8
CAS number
343306-79-6
Molecular weight
2178.01
Formula
C72H104Na8O48S8
Solubility
Water ： ≥ 34 mg/mL (15·61 mM)
InChIKey
KMGKABOMYQLLDJ-VKHHSAQNSA-F
Catalogue number
GC19340
Brand
GLPBIO
Computed properties PubChem CID 6918584 · TPSA 995 Ų · H-bond donors 16 · H-bond acceptors 56
TPSA
995 Ų
H-bond donors
16
H-bond acceptors
56
Rotatable bonds
32
Heavy atoms
136

SMILES C(CSC[C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[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](O2)[C@@H]([C@H]9O)O)CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])O)O)C(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Computed descriptors from PubChem (CID 6918584), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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