General Information of the Compound
Compound ID
CP0669687
Compound Name
SID50106346
    Show/Hide
Synonyms
(v-Phenenyltris(oxyethylene))tris(triethylammonium iodide)
(v-Phenenyltris(oxyethylene))tris(triethylammonium) triiodide
(v-Phenenyltris(oxyethylene))tris(triethylammoniumiodide)
1,2,3-Tri(beta-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
1,2,3-Tris(diethylaminoethoxy)benzene triethiodide
2,2',2''-(1,2,3-Benzenetriyltris(oxy))tris(N,N,N-triethylethanaminium) triiodide
2,2',2''-[benzene-1,2,3-triyltris(oxy)]tris(N,N,N-triethylethanaminium) triiodide
2-[2,3-bis[2-(triethylazaniumyl)ethoxy]phenoxy]ethyl-triethylazanium triiodide
Ammonium, (v-phenenyltris(oxyethylene))tris(triethyl-, triiodide
Ammonium, (v-phenenyltris(oxyethylene)tris(triethyl-, triiodide
Benzcurine iodide
Benzkurin
Ethanaminium, 2,2',2''-(1,2,3-benzenetriyltris(oxy))tris(N,N,N-triethyl)-, triiodide
Ethanaminium, 2,2',2''-(1,2,3-benzenetriyltris(oxy))tris(N,N,N-triethyl-, triiodide
Ethanaminium, 2,2',2'-(1,2,3-benzenetriyltris(oxy))tris(N,N,N-triethyl)-, triiodide
F 2559
Flaxedil
Flaxedil (TN)
Fourneau 2559
G 8134
Gallaflex
Gallamin triethiodide
Gallamina triodoetilato
Gallamina triodoetilato [DCIT]
Gallamine Triethiodide
Gallamine iodide
Gallamine triethiodide (USP)
Gallamine triethiodide [INN]
Gallamine triiodoethylate
Gallamine-3ETI
Gallamini triethiodidum
Gallamini triethiodidum [INN-Latin]
Gallaminii iodidum
Gallaminum triaethjodidum
Gallaminum triaethoiodatum
Gallamone triethiodide
Gallamoni jodidum
HL 8583
Miowas G
Parexyl
Pirolakson
Pyrogallol 1,2,3-(diethylaminoethyl ether) tris(ethyliodide)
Pyrogallol 1,2,3-(diethylaminoethyl ether) trisethyl iodide
Pyrolaxon
RP 3697
Relaxan
Remyolan
Retensin
Sincurarine
Syncurarine
Tri(beta-diethylaminoethoxy)-1,2,3-benzene tri-iodoethylate
Tri(iodoethylate) de tri (beta diethylaminoethoxy)-1,2,3 benzene
Tri(iodoethylate) de tri (beta diethylaminoethoxy)-1,2,3 benzene [French]
Tricuran
Triethiodure de gallamine
Triethiodure de gallamine [INN-French]
Triethioduro de galamina [INN-Spanish]
Triethiodurode galamina
Triiodoethylate de gallamine
Triiodoethylate de gallamine [French]
Triiodoethylate of tri(diethylaminoethyloxy)-1,2,3-benzene
Triiodure de tri(beta-triethylammoniumethoxy)-1,2,3 benzene
Triiodure de tri(beta-triethylammoniumethoxy)-1,2,3 benzene [French]
    Show/Hide
Structure
Formula
C30H60I3N3O3
Molecular Weight
891.54
Canonical SMILES
CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC.[I-].[I-].[I-]
    Show/Hide
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
    Show/Hide
InChIKey
REEUVFCVXKWOFE-UHFFFAOYSA-K
CAS
65-29-2
153-76-4
Physicochemical Property
logP
-3.5355
Rotatable Bonds
21
Heavy Atom Count
39
Polar Areas
27.69
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
39

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 6172
SID: 15089610
ChEMBL ID
CHEMBL1200993
DrugBank ID
DB00483
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000845 CHO-K9 Cricetulus griseus (Chinese hamster)  2
1
IC50 = 776.25 nM
   TI
   LI
   LO
   TS
2
Ki = 467.74 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Gallamine Triethiodide )
Drug Name Gallamine Triethiodide
Indication
Stabilize muscle contraction
Approved
Target(s)
Muscarinic acetylcholine receptor M2 (CHRM2)
Antagonist