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Suxethonium bromide

CAT: 0013-GTR19242429-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242429-02Size:10 mg
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Description
Suxethonium is a depolarizing neuromuscular blocking agent used in research to study muscle relaxation mechanisms. It is employed in both in vitro and in vivo experimental models for pharmacological investigations, noted for its relatively low association with postoperative myalgia in comparative studies.
CAS Number
111-00-2
Smiles
O=C (CCC (OCC[N+] (C) (CC) C) =O) OCC[N+] (C) (CC) C.[Br-].[Br-]
Molecular Formula
C16H34Br2N2O4
Molecular Weight
478.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Suxethonium bromide
CAS Number111-00-2
PubChem CID46036
IUPAC Nameethyl-[2-[4-[2-[ethyl(dimethyl)azaniumyl]ethoxy]-4-oxobutanoyl]oxyethyl]-dimethylazanium dibromide
Molecular FormulaC16H34Br2N2O4
Molecular Weight478.3
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count24
Formal Charge0
Complexity320
SMILES
CC[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)CC.[Br-].[Br-]
InChI
InChI=1S/C16H34N2O4.2BrH/c1-7-17(3,4)11-13-21-15(19)9-10-16(20)22-14-12-18(5,6)8-2;;/h7-14H2,1-6H3;2*1H/q+2;;/p-2
InChIKey
KTZFEWDRQPCZAP-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Suxethonium bromide
CAS: 111-00-2
CID: 46036
Formula: C16H34Br2N2O4
MW: 478.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass478.08648
Monoisotopic Mass476.08853
Topological Polar Surface Area52.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity320
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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