Sugammadex

Base Information

• Chemical Name: Sugammadex
• CAS No.: 343306-71-8
• Molecular Formula: C72H112O48S8
• Molecular Weight: 2178.01
• UNII: 361LPM2T56
• DSSTox Substance ID: DTXSID90895043
• Nikkaji Number: J1.812.525K
• Wikipedia: Sugammadex
• NCI Thesaurus Code: C80629
• RXCUI: 1726988
• Metabolomics Workbench ID: 149677
• Mol file: 343306-71-8.mol

Synonyms:6-perdeoxy-6-per(2-carboxyethyl)thio-gamma-cyclodextrin sodium salt;Bridion;Org 25969;Sugammadex;Sugammadex sodium

Chemical Property of Sugammadex

Chemical Property:

• PKA: 3.42±0.10(Predicted)
• PSA: 994.80000
• Density: 1.559±0.06 g/cm3(Predicted)
• LogP: -18.35920
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Aqueous Acid (Slightly), Water (Slightly, Sonicated)
• XLogP3: -10.5
• Hydrogen Bond Donor Count: 24
• Hydrogen Bond Acceptor Count: 56
• Rotatable Bond Count: 40
• Exact Mass: 2000.4088747
• Heavy Atom Count: 128
• Complexity: 2830

Purity/Quality:

99%min ^*data from raw suppliers

6A,6B,6C,6D,6E,6F,6G,6H-octakis-S-(2-carboxyethyl)-6A,6B,6C,6D,6E,6F,6G,6H-octathio-γ-Cyclodextrin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CSCC1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(C(C8O)O)OC9C(OC(O2)C(C9O)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
• Isomeric 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
• Recent ClinicalTrials: The ED95 Dose of Sugammadex to Reverse Rocuronium-Induced Deep Neuromuscular Block Back to Shallow Neuromuscular Block
• Recent EU Clinical Trials: The immunomodulatory effect of sugammadex after total hip replacement surgery under neuraxial anaesthesia: a pilot study
• Recent NIPH Clinical Trials: Comparison of reversal with neostigmine vs. sugammadex for postoperative bowel function in patients undergoing colorectal surgery
• Description: Sugammadex is a selective relaxant binding agent indicated for reversal of neuromuscular blockade induced by rocuronium bromide and vecuronium bromide during surgery in adults. Rocuronium bromide and vecuronium bromide are neuromuscular blocking medications that cause temporary paralysis and are especially useful for general anesthesia, ventilation, or tracheal intubation that patients may require for surgery. Sugammadex provides a new treatment option to reverse the effects of those medications and possibly help patients recover sooner post-surgery. Sugammadex (brand name Bridion) is marketed by Merck Sharp and Dohme, and was approved by the United States FDA on December 15, 2015.
• Uses: Reversal agent for neuromuscular blocking drugs. 6A,6B,6C,6D,6E,6F,6G,6H-octakis-S-(2-carboxyethyl)-6A,6B,6C,6D,6E,6F,6G,6H-octathio-γ-Cyclodextrin, also known as Sugammadex, is used to reverse postoperative residual neuromuscular blockade.