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Merck
CN

I3639

Isoetharine mesylate salt

Synonym(s):

4-[1-Hydroxy-2-[(1-methylethyl)amino]butyl]-1,2-benzenediol mesylate salt

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About This Item

Empirical Formula (Hill Notation):
C13H21NO3 · CH4O3S
CAS Number:
7279-75-6
Molecular Weight:
335.42
NACRES:
NA.77
PubChem Substance ID:
24278491
UNSPSC Code:
12352200
EC Number:
230-695-8
MDL number:
MFCD00133422

Key Documents

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InChI key

SOYAGMVKMXZVNZ-UHFFFAOYSA-N

InChI

1S/C13H21NO3.CH4O3S/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9;1-5(2,3)4/h5-8,10,13-17H,4H2,1-3H3;1H3,(H,2,3,4)

SMILES string

CS(O)(=O)=O.CCC(NC(C)C)C(O)c1ccc(O)c(O)c1

originator

Sanofi Aventis

storage temp.

2-8°C

Quality Level

200

Gene Information

human ... ADRB1(153), ADRB2(154), ADRB3(155)

Related Categories

Application

Isoetharine mesylate salt has been used:
  • as an adrenergic drug to test its effect on embryo implantation in 4-day pregnant mice
  • as a substrate for recombinant human sulfotransferase (SULT) in SULT assay to monitor conjugation reaction
  • as a β-2 agonist in collision-induced dissociation (CID) mass spectrometry analysis

Biochem/physiol Actions

Isoetharine is an agonist for β-adrenergic receptors and is a bronchodilator. It is a catecholic drug metabolized by sulfotransferases and is present in human urine and plasma as a sulfated metabolite. Catechol O-methyltransferase (COMT) also mediates the methylation of isoetharine in the metabolic conjugation pathway.

Features and Benefits

This compound was developed by Sanofi Aventis. To browse the list of other pharma-developed compounds and Approved Drugs/Drug Candidates, click here.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
0000287902
0000287902
051H0666

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Aronson JK
- Pesticide Residues in Food - 1992: Report of the Joint Meeting of the FAO Panel of Experts on Pesticide Residues in Food and the Environment and the WHO Expert Group on Pesticide Residues, Rome, 21-30 September 1992 (2016)
N B Charan et al.
Journal of applied physiology (Bethesda, Md. : 1985), 82(2), 686-692 (1997-02-01)
In anesthetized sheep, we measured bronchial blood flow (Qbr) by an ultrasonic flow probe to investigate the interaction between inhaled nitric oxide (NO; 100 parts/million) given for 5 min and 5 ml of aerosolized isoetharine (1.49 x 10(-2) M concentration).
Qi Chen et al.
The Journal of biological chemistry, 286(6), 4349-4356 (2010-12-15)
Pregnancy loss is a serious social and medical issue, with one important cause associated with aberrant embryo implantation during early pregnancy. However, whether and how the process of embryo implantation is affected by environmental factors such as stress-induced sympathetic activation
P Carvalho et al.
Journal of applied physiology (Bethesda, Md. : 1985), 84(1), 215-221 (1998-02-06)
We studied the dose-dependent effects of inhaled isoetharine HCl, a beta-adrenergic bronchodilator (2.5, 5.0, 10.0, and 20.0 mg), on bronchial blood flow (Qbr) in anesthetized sheep. Isoetharine resulted in a dose-dependent increase in Qbr. With a total dose of 17.5
Gas-phase dissociation pathways of Beta-2 agonists
Carlo MJ, et al.
International Journal of Mass Spectrometry, 463, 116548-116548 (2021)
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