Ambenonium dichloride , CAS No.52022-31-8

CAS: 52022-31-8 Cat. No.: A334919 Molecular Weight: 608.48 EC Number: 204-107-5 PubChem CID: 71587164

Synonyms

(OXALYLBIS(IMINOETHYLENE))BIS((O-CHLOROBENZYL)DIETHYLAMMONIUM) DICHLORIDE TETRAHYDRATE | BENZENEMETHANAMINIUM, N,N'-((1,2-DIOXO-1,2-ETHANEDIYL)BIS(IMINO-2,1-ETHANEDIYL))BIS(2-CHLORO-N,N-DIETHYL-, DICHLORIDE, TETRAHYDRATE | Q27273148 | 2,2'-(oxalylbis(azan

Storage

Room temperature

Shipped In

Normal

Overview

Ambenonium dichloride is the dichloride salt of Ambenonium, a selective inhibitor of acetylcholine esterase (AChE). Ambenonium is described to be a rapidly reversible noncovalent inhibitor of AChE, demonstrating high affinity (IC|50|= 0.698 nM) at AChE and a lower affinity (IC|50|= 8.20 μM) at BChE (butyrylcholine esterase).

Specifications

Synonyms

(OXALYLBIS(IMINOETHYLENE))BIS((O-CHLOROBENZYL)DIETHYLAMMONIUM) DICHLORIDE TETRAHYDRATE | BENZENEMETHANAMINIUM, N, N'-((1, 2-DIOXO-1, 2-ETHANEDIYL)BIS(IMINO-2, 1-ETHANEDIYL))BIS(2-CHLORO-N, N-DIETHYL-, DICHLORIDE, TETRAHYDRATE | Q27273148 | 2, 2'-(oxalylbis(azan

Storage

Room temperature

Shipped In

Normal

Product Properties

• pKa: pKₐ: 11.09 (Predicted)

Names and Identifiers

• Canonical Smiles: CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1Cl)CC2=CC=CC=C2Cl.O.O.O.O.[Cl-].[Cl-]
• IUPAC Name: (2-chlorophenyl)methyl-[2-[[2-[2-[(2-chlorophenyl)methyl-diethylazaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl]-diethylazanium;dichloride;tetrahydrate
• InChIKey: FFLYNBGKFQTWPI-UHFFFAOYSA-N
• INCHI: 1S/C28H40Cl2N4O2.2ClH.4H2O/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;4*1H2
• Isomeric SMILES: CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1Cl)CC2=CC=CC=C2Cl.O.O.O.O.[Cl-].[Cl-]
• PubChem CID: 71587164
• Molecular Weight: 608.48

Chemical and Physical Properties

• Solubility: Soluble in water (100 mM).
• Melt Point(°C): 196-199° C (Predicted)