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87233-61-2

87233-61-2 structural image
Product Name: Emedastine
Formula: C17H26N4O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Solubility Soluble (difumarate formulation)
LogP 2.6

COMPUTED DESCRIPTORS

Molecular Weight 302.4 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 302.21066147 g/mol
Monoisotopic Mass 302.21066147 g/mol
Topological Polar Surface Area 33.5 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 341
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

Emedastine is 1-Methyl-1,4-diazepane in which the hydrogen attached to the nitrogen at position 4 is substituted by a 1-(2-ethoxyethyl)-1H-benzimidazol-2-yl group. A relatively selective histamine H1 antagonist, it is used as the difumatate salt for allergic rhinitis, urticaria, and pruritic skin disorders, and in eyedrops for the symptomatic relief of allergic conjuntivitis. It has a role as a H1-receptor antagonist, an anti-allergic agent and an antipruritic drug.