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Ambenonium Dichloride

CAT: 0572-TRC-A575875-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A575875-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
115-79-7
Synonyms
Benzenemethanaminium, N,N'-[(1,2-dioxo-1,2-ethanediyl)bis(imino-2,1-ethanediyl)]bis[2-chloro-N,N-diethyl-, chloride (1:2); Ammonium, [oxalylbis(iminoethylene)]bis[(o-chlorobenzyl)diethyl-, dichloride (8CI); Benzenemethanaminium, N,N'-[(1,2-dioxo-1,2-ethanediyl)bis(imino-2,1-ethanediyl)]bis[2-chloro-N,N-diethyl-, dichloride (9CI); [Oxalylbis(iminoethylene)]bis[(o-chlorobenzyl)diethylammonium chloride] (6CI,7CI); Ambenonium chloride; Ambenonium dichloride; Ambestigmin chloride; Misuran; Mysuran; Mysuran chloride; Mytelase; Mytelase chloride; N,N'-Bis-(2-diethylaminoethyl)oxamide bis-2-chlorobenzylchloride; N,N'-Bis-2-[(2-chlorobenzyl)diethylammonium chloride]-ethyloxamide; Oxamizil; Oxazil; Oxazyl; Win 8077
Hazard Statement
Fatal if swallowed; UN number: UN2811; Packing Group: II
Smiles
[Cl-].[Cl-].CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc2ccccc2Cl
Molecular Formula
C28 H42 Cl2 N4 O2 . 2 Cl
Molecular Weight
608.47
InChI
InChI=1S/C28H40Cl2N4O2.2ClH/c1-5-33(6-2,21-23-13-9-11-15-25(23)29)19-17-31-27(35)28(36)32-18-20-34(7-3,8-4)22-24-14-10-12-16-26(24)30;;/h9-16H,5-8,17-22H2,1-4H3;2*1H
Additionnal Information
IUPAC name: (2-chlorophenyl)methyl-[2-[[2-[2-[(2-chlorophenyl)methyl-diethylazaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl]-diethylazanium;dichloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Ambenonium Chloride

Ambenonium chloride is a symmetrical oxalamide-based bis-quaternary ammonium salt having ethyl and 2-chlorobenzyl groups attached to the nitrogens. It has a role as a neurotransmitter agent and an EC 3.1.1.8 (cholinesterase) inhibitor. It is a quaternary ammonium salt and an organic chloride salt.

CAS Number115-79-7
PubChem CID8288
IUPAC Name(2-chlorophenyl)methyl-[2-[[2-[2-[(2-chlorophenyl)methyl-diethylazaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl]-diethylazanium dichloride
Molecular FormulaC28H42Cl4N4O2
Molecular Weight608.5
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Heavy Atom Count38
Formal Charge0
Complexity614
SMILES
CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1Cl)CC2=CC=CC=C2Cl.[Cl-].[Cl-]
InChI
InChI=1S/C28H40Cl2N4O2.2ClH/c1-5-33(6-2,21-23-13-9-11-15-25(23)29)19-17-31-27(35)28(36)32-18-20-34(7-3,8-4)22-24-14-10-12-16-26(24)30;;/h9-16H,5-8,17-22H2,1-4H3;2*1H
InChIKey
DXUUXWKFVDVHIK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ambenonium Chloride
CAS: 115-79-7
CID: 8288
Formula: C28H42Cl4N4O2
MW: 608.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight608.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Exact Mass608.203237
Monoisotopic Mass606.206187
Topological Polar Surface Area58.2 Ų
Heavy Atom Count38
Formal Charge0
Complexity614
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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HY-100919RAmbenonium (chloride) (Standard)
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