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Decamethonium bromide

CAT: 0013-GTR19162089-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19162089-02Size:500 mg
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Description
Decamethonium Bromide is a nicotinic AChR partial agonist and neuromuscular blocking agent.
CAS Number
541-22-0
Product Name Alternative
Decamethonium | Decamethonum | Syncurine | DECAMETHONIUM ION | Lopac-D-1260 | (DM) Br2
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
Ethanol: 25 mg/mL (59.76 mM) ; Water: 84 mg/mL (200.81 mM) ; DMSO: 34 mg/mL (81.28 mM)
Smiles
C[N+] (CCCCCCCCCC[N+] (C) (C) C) (C) C.[Br-].[Br-]
Molecular Formula
C16H38Br2N2
Molecular Weight
418.29
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
Trimethyl-[10- (trimethylazaniumyl) decyl]azanium bromide

Chemical Information

Decamethonium dibromide

Crystals derived from methanol and acetone. (NTP, 1992)

CAS Number541-22-0
PubChem CID10921
IUPAC Nametrimethyl-[10-(trimethylazaniumyl)decyl]azanium dibromide
Molecular FormulaC16H38Br2N2
Molecular Weight418.3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count11
Heavy Atom Count20
Formal Charge0
Complexity164
SMILES
C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[Br-].[Br-]
InChI
InChI=1S/C16H38N2.2BrH/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6;;/h7-16H2,1-6H3;2*1H/q+2;;/p-2
InChIKey
HLXQFVXURMXRPU-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Decamethonium dibromide
CAS: 541-22-0
CID: 10921
Formula: C16H38Br2N2
MW: 418.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count11
Exact Mass418.13812
Monoisotopic Mass416.14017
Topological Polar Surface Area0 Ų
Heavy Atom Count20
Formal Charge0
Complexity164
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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