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7279-75-6

7279-75-6 structural image
Product Name: 4-[1-HYDROXY-2-([1-METHYLETHYL]AMINO)BUTYL]-1,2-BENZENEDIOL METHANESULFONATE
Formula: C14H25NO6S
Synonyms: 4-[1-Hydroxy-2-[(1-methylethyl)amino]butyl]-1,2-benzenediol mesylate salt
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >50.3 [ug/mL] (The mean of the results at pH 7.4)
Collision Cross Section 156 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

COMPUTED DESCRIPTORS

Molecular Weight 335.42 g/mol
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 5
Exact Mass 335.14025869 g/mol
Monoisotopic Mass 335.14025869 g/mol
Topological Polar Surface Area 136 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 315
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Adrenergic beta-2 agonist used as bronchodilator for emphysema, bronchitis and asthma.