chempirical

Gallamine triethiodide

C30H60I3N3O3CAS 65-29-2891.54 g/mol

Open in Covalent MOL file
N+OON+ON+I−I−I−
EtherQuaternary ammonium

Properties

Molecular formula
C30H60I3N3O3
Molar mass
891.54 g/mol
Exact mass
891.1769 Da
Melting point
147.5 °C
logP
-3.54Crippen estimate
Polar surface area
27.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
21

Identifiers

CAS number
65-29-2
SMILES
CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC.[I-].[I-].[I-]
InChIKey
REEUVFCVXKWOFE-UHFFFAOYSA-K
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

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Type any one amount. The others follow from the molar mass.

Names and synonyms

34 names · show all
  • Ethanaminium, 2,2′,2′′-[1,2,3-benzenetriyltris(oxy)]tris[N,N,N-triethyl-, iodide (1:3)
  • [v-Phenenyltris(oxyethylene)]tris[triethylammonium iodide]
  • Ammonium, [v-phenenyltris(oxyethylene)]tris[triethyl-, triiodide
  • Ethanaminium, 2,2′,2′′-[1,2,3-benzenetriyltris(oxy)]tris[N,N,N-triethyl-, triiodide
  • F 2559
  • 3697 RP
  • RP 3697
  • Benzcurine iodide
  • Flacedil
  • Flaxedil
  • Fourneau 2559
  • Gallamine iodide
  • Gallamine triiodoethylate
  • Gallamin triethiodide
  • Pyrogallol 1,2,3-(diethylaminoethyl ether) tris(ethyliodide)
  • Relaxan
  • Remyolan
  • Retensin
  • Sincurarine
  • Syncurarine
  • 1,2,3-Tri(β-diethylaminoethoxy)benzene triethiodide
  • Tri(β-diethylaminoethoxy)-1,2,3-benzene tri-iodoethylate
  • Tri(diethylaminoethoxy)-1,2,3-benzene triiodoethylate
  • 1,2,3-Tris(diethylaminoethoxy)benzene triethiodide
  • 1,2,3-Tris(2-diethylaminoethoxy)benzene triethiodide
  • 1,2,3-Tris(2-diethylaminoethoxy)benzene tris(ethyliodide)
  • 1,2,3-Tris(2-triethylammonium ethoxy)benzene triiodide
  • Flaxedil iodide
  • Gallaflex
  • HL 8583
  • Miowas G
  • Parexyl
  • Pyrolaxon
  • Gallamone triethiodide

Work with Gallamine triethiodide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3-Dihydro-1,4-benzodioxin-5-amine16081-45-139 % similar Tetraethylammonium iodide68-05-335 % similar 1,2-Diethoxybenzene2050-46-634 % similar 1,4-Benzodioxan-5-carboxylic acid4442-53-934 % similar Benzodioxan493-09-433 % similar 1-(2-Bromoethoxy)-2-ethoxybenzene3259-03-833 % similar 1-Chloro-2-ethoxybenzene614-72-233 % similar 1-Ethoxynaphthalene5328-01-832 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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