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94749-08-3

94749-08-3 structural image
Product Name: Salmeterol xinafoate
Formula: C36H45NO7
Synonyms: (±) 4-Hydroxy-a1-[[[6-(4-phenylbutoxy)hexyl]amino]m-ethyl]-1,3-benzenedimethanol xinafoate;GR 33343X xinafoate;Salmeterol xinafoate
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 603.7 g/mol
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 17
Exact Mass 603.31960277 g/mol
Monoisotopic Mass 603.31960277 g/mol
Topological Polar Surface Area 140 Ų
Heavy Atom Count 44
Formal Charge 0
Complexity 629
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Salmeterol xinafoate is a potent and selective β2-adrenoceptor agonist (EC50 = 5.3 nM) that displays bronchodilator actions. Unlike other β2- adrenoceptor agonists, Salmeterol binds to exo-site domain of β2-AR receptors, producing a slow onset of action and prolonged activation. Clinically used for the treatment of asthma and chronic obstructive pulmonary disease(COPD).

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