Sugammadex sodiumProduct ingredient for Sugammadex
- Name
- Sugammadex sodium
- Drug Entry
- Sugammadex
Sugammadex is a selective relaxant binding agent indicated for reversal of neuromuscular blockade induced by rocuronium bromide and vecuronium bromide during surgery. 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.
- Accession Number
- DBSALT000556
- Structure
- Synonyms
- Not Available
- UNII
- ERJ6X2MXV7
- CAS Number
- 343306-79-6
- Weight
- Average: 2178.006
Monoisotopic: 2176.264428104 - Chemical Formula
- C72H104Na8O48S8
- InChI Key
- KMGKABOMYQLLDJ-UHFFFAOYSA-F
- 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
- IUPAC Name
- 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-carboxylatoethyl)sulfanyl]methyl})-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[36.2.2.2^{3,6}.2^{8,11}.2^{13,16}.2^{18,21}.2^{23,26}.2^{28,31}.2^{33,36}]hexapentacontan-5-yl]methyl}sulfanyl)propanoate
- SMILES
- [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[H][C@]1(CSCCC([O-])=O)O[C@]2([H])O[C@]3([H])[C@@]([H])(CSCCC([O-])=O)O[C@]([H])(O[C@]4([H])[C@@]([H])(CSCCC([O-])=O)O[C@]([H])(O[C@]5([H])[C@@]([H])(CSCCC([O-])=O)O[C@]([H])(O[C@]6([H])[C@@]([H])(CSCCC([O-])=O)O[C@]([H])(O[C@]7([H])[C@@]([H])(CSCCC([O-])=O)O[C@]([H])(O[C@]8([H])[C@@]([H])(CSCCC([O-])=O)O[C@]([H])(O[C@]9([H])[C@@]([H])(CSCCC([O-])=O)O[C@]([H])(O[C@@]1([H])[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]9([H])O)[C@]([H])(O)[C@@]8([H])O)[C@]([H])(O)[C@@]7([H])O)[C@]([H])(O)[C@@]6([H])O)[C@]([H])(O)[C@@]5([H])O)[C@]([H])(O)[C@@]4([H])O)[C@]([H])(O)[C@@]3([H])O
- External Links
- PubChem Compound
- 6918584
- ChemSpider
- 77431765
- Wikipedia
- Sugammadex
- Predicted Properties
Property Value Source Water Solubility 31.5 mg/mL ALOGPS logP 0.85 ALOGPS logP -5.4 Chemaxon logS -1.8 ALOGPS pKa (Strongest Acidic) 2.82 Chemaxon Physiological Charge -8 Chemaxon Hydrogen Acceptor Count 48 Chemaxon Hydrogen Donor Count 16 Chemaxon Polar Surface Area 792.4 Å2 Chemaxon Rotatable Bond Count 40 Chemaxon Refractivity 519.34 m3·mol-1 Chemaxon Polarizability 185.9 Å3 Chemaxon Number of Rings 9 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon