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Isoetharine

Isoetharine structure

CAS No:
530-08-5
Formula:
C13H21NO3
Chemical Name:
Isoetharine
Synonyms:
1,2-Benzenediol,4-[1-hydroxy-2-[(1-methylethyl)amino]butyl]-;Benzyl alcohol,3,4-dihydroxy-α-[1-(isopropylamino)propyl]-;Protocatechuyl alcohol,α-(1-isopropylaminopropyl)-;4-[1-Hydroxy-2-[(1-methylethyl)amino]butyl]-1,2-benzenediol;Win 3046;1-(3,4-Dihydroxyphenyl)-2-isopropylamino-1-butanol;Dilabron;Isoctarine;Isoetharine;α-(1-Isopropylaminopropyl)protocatechuyl alcohol;Neoisuprel;Neosuprel;Isoetarine;Etyprenaline;Isoetarin;Isothurin;Numotac;Bronkometer;Win 3406;13725-16-1;32095-14-0
Categories:
Organic Chemistry > Amides

Description

Solid

Isoetharine is a catecholamine.|Isoetharine is a selective adrenergic beta-2 agonist used as fast acting bronchodilator for emphysema, bronchitis and asthma.|Adrenergic beta-2 agonist used as bronchodilator for emphysema, bronchitis and asthma.

Isoetharine Basic Attributes

Molecular Weight：

239.313

Exact Mass：

239.31

EC Number：

208-472-1

DSSTox ID：

DTXSID9048560

ATC Code：

R - Respiratory system

HScode：

2922509090

Characteristics

PSA：

72.7

XLogP3：

2.2

Appearance：

Solid

Density：

1.142±0.06 g/cm3(Predicted)

Water Solubility：

3.18e+00 g/L

Toxicity

Toxicity Summary：

Signs of overdose include tachycardia, palpitations, nausea, headache, and epinephrine-like side effects.

Drug Information

Drug Indication：

For the treatment of asthma, wheezing, and chronic asthmatic bronchitis.

Pharmacology：

Isoetharine is a relatively selective beta2-adrenergic bronchodilator. Isoetharine is indicated for the relief of bronchospasm associated with chronic obstructive pulmonary disease. Adrenergic bronchodilators are breathed in through the mouth to open up the bronchial tubes (air passages) of the lungs.

MeSH：

Agents that cause an increase in the expansion of a bronchus or bronchial tubes. (See all compounds classified as Bronchodilator Agents.)|Compounds bind to and activate ADRENERGIC BETA-2 RECEPTORS. (See all compounds classified as Adrenergic beta-2 Receptor Agonists.)

Mechanism of Action：

The pharmacologic effects of isoetharine are attributable to stimulation through beta-adrenergic receptors of intracellular adenyl cyclase, the enzyme that catalyzes the conversion of adenosine triphosphate (ATP) to cyclic AMP. Increased cyclic AMP levels are associated with relaxation of bronchial smooth muscle and inhibition of release of mediators of immediate hypersensitivity from cells, especially from mast cells.

MeSH Entry Terms：

Bronkometer

Isoetharine Use and Manufacturing

Uses

Bronchodilator.

Use Classification：

Human Drugs -> FDA Approved Drug Products with Therapeutic Equivalence Evaluations (Orange Book) -> Active Ingredients|Pharmaceuticals

Computed Properties

Molecular Weight:239.31
XLogP3:1.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:239.15214353
Monoisotopic Mass:239.15214353
Topological Polar Surface Area:72.7
Heavy Atom Count:17
Complexity:223
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes