7279-75-6
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
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Solubility | >50.3 [ug/mL] (The mean of the results at pH 7.4) |
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Collision Cross Section | 156 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
SAFETY INFORMATION
Signal word | Warning |
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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 |
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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.