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89365-50-4

89365-50-4 structural image
Product Name: Salmeterol
Formula: C25H37NO4
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Boiling Point 603
Melting Point 75.5-76.5 °C
Solubility Sparingly soluble
Vapor Pressure 1.9X10-15 mm Hg at 25 °C /Estimated/
LogP 4.2
Henry's Law Constant Henry's Law constant = 2.5X10-17 atm-cu m/mol at 25 °C /Estimated/
Stability/Shelf Life Salmeterol xinafoate oral inhalation aerosol or oral inhalation powder (Serevent Diskus) is stable for 2 years or 18 months, respectively, from the date of manufacture.
Dissociation Constants pKa = 11.2 /Estimated/
Other Experimental Properties Hydroxyl radical reaction rate constant = 1.8X10-10 cu cm/molec sec at 25 °C /Estimated/

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 P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 415.6 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 16
Exact Mass 415.27225866 g/mol
Monoisotopic Mass 415.27225866 g/mol
Topological Polar Surface Area 82 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 403
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 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

2-(hydroxymethyl)-4-(1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl)phenol is a phenol having a hydroxymethyl group at C-2 and a 1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl group at C-4; derivative of phenylethanolamine. It is a member of phenols, an ether, a secondary alcohol, a primary alcohol and a secondary amino compound. It is functionally related to a phenylethanolamine.