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Gallamine Triethiodide

CAT: 0127-OR1029827-03Size: 1 gDry Ice: NoHazardous: No
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CAS Number
65-29-2
Synonyms
2-[2,3-bis[2- (triethylazaniumyl) ethoxy]phenoxy]ethyl-triethylazanium; triiodide
Purity
98%
Smiles
CC[N+](CC)(CC)CCOC1=C(C(=CC=C1)OCC[N+](CC)(CC)CC)OCC[N+](CC)(CC)CC.[I-].[I-].[I-]

Chemical Information

Gallamine Triethiodide

A synthetic nondepolarizing blocking drug. The actions of gallamine triethiodide are similar to those of tubocurarine, but this agent blocks the cardiac vagus and may cause sinus tachycardia and, occasionally, hypertension and increased cardiac output. It should be used cautiously in patients at risk from increased heart rate but may be preferred for patients with bradycardia. (From AMA Drug Evaluations Annual, 1992, p198)

CAS Number65-29-2
PubChem CID6172
IUPAC Name2-[2,3-bis[2-(triethylazaniumyl)ethoxy]phenoxy]ethyl-triethylazanium triiodide
Molecular FormulaC30H60I3N3O3
Molecular Weight891.5
Topological Polar Surface Area27.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count21
Heavy Atom Count39
Formal Charge0
Complexity489
SMILES
CC[N+](CC)(CC)CCOC1=C(C(=CC=C1)OCC[N+](CC)(CC)CC)OCC[N+](CC)(CC)CC.[I-].[I-].[I-]
InChI
InChI=1S/C30H60N3O3.3HI/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9;;;/h19-21H,10-18,22-27H2,1-9H3;3*1H/q+3;;;/p-3
InChIKey
REEUVFCVXKWOFE-UHFFFAOYSA-K
Chemical Structure
2D Structure
2D structure of Gallamine Triethiodide
CAS: 65-29-2
CID: 6172
Formula: C30H60I3N3O3
MW: 891.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight891.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count21
Exact Mass891.1769
Monoisotopic Mass891.1769
Topological Polar Surface Area27.7 Ų
Heavy Atom Count39
Formal Charge0
Complexity489
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B1610-50Gallamine Triethiodide
A10417-100Gallamine triethiodide 100mg

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