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7648-98-8

7648-98-8 structural image
Product Name: AMBENONIUM
Formula: C28H42Cl2N4O2+2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 196-199 °C
Solubility Soluble

COMPUTED DESCRIPTORS

Molecular Weight 537.6 g/mol
XLogP3 5.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 14
Exact Mass 536.2684820 g/mol
Monoisotopic Mass 536.2684820 g/mol
Topological Polar Surface Area 58.2 Ų
Heavy Atom Count 36
Formal Charge 2
Complexity 614
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

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