 Home > Encyclopedia > Isoetharine mesylate

Isoetharine mesylate

Isoetharine mesylate structure

CAS No:
7279-75-6
Formula:
C13H21NO3.CH4O3S
Chemical Name:
Isoetharine mesylate
Synonyms:
1,2-Benzenediol,4-[1-hydroxy-2-[(1-methylethyl)amino]butyl]-,methanesulfonate (1:1);Benzyl alcohol,3,4-dihydroxy-α-[1-(isopropylamino)propyl]-,methanesulfonate (salt);1,2-Benzenediol,4-[1-hydroxy-2-[(1-methylethyl)amino]butyl]-,methanesulfonate (salt);Benzyl alcohol,3,4-dihydroxy-α-[1-(isopropylamino)propyl]-,methanesulfonate;Isoetharine methanesulfonate;Isoetharine mesylate;Isoetarine mesilate;CSU-0894;CSU 0894;34233-63-1;41468-75-1;52553-25-0
Categories:
Organic Chemistry > Amides

Request for Quotation

Description

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

Isoetharine mesylate Basic Attributes

Molecular Weight：

335.41600

Exact Mass：

335.14000

EC Number：

230-695-8

NSC Number：

759286

DSSTox ID：

DTXSID2045571

Characteristics

PSA：

135.47000

XLogP3：

2.88350

Boiling Point：

429.3ºC at 760 mmHg

Flash Point：

156.7ºC

Water Solubility：

>50.3 [ug/mL]

Storage Conditions：

2-8ºC

Collision Cross Section：

156 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

20/21/22

safety instructions：

Marks：

Precautionary statement(s)：

P280

Hazard Statements：

H302-H312-H332

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

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.)

MeSH Entry Terms：

Bronkometer

Isoetharine mesylate Use and Manufacturing

Uses

chelating agent

Use Classification：

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

Computed Properties

Molecular Weight:335.42
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:335.14025869
Monoisotopic Mass:335.14025869
Topological Polar Surface Area:136
Heavy Atom Count:22
Complexity:315
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes