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Bitolterol mesylate

Bitolterol mesylate structure

CAS No:
30392-41-7
Formula:
C28H31NO5.CH4O3S
Chemical Name:
Bitolterol mesylate
Synonyms:
Benzoic acid,4-methyl-,1,1′-[4-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-1,2-phenylene] ester,methanesulfonate (1:1);Benzoic acid,4-methyl-,4-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-1,2-phenylene ester,methanesulfonate (salt);p-Toluic acid,4-[2-(tert-butylamino)-1-hydroxyethyl]-o-phenylene ester methanesulfonate (salt);Win 32784;Bitolterol mesylate;Effectin;Tornalate;Bitoterol methanesulfonate;Biterol;(tert-Butyl)[β-hydroxy-3,4-bis(p-toluoyloxy)phenethyl]ammonium methanesulfonate;(tert-Butyl)[β-hydroxy-3,4-bis(p-toluoyloxy)phenethyl]ammonium methanesulphonate
Categories:
Active Pharmaceutical Ingredients > Respiratory Drugs

Description

ChEBI: The methanesulfonate salt of bitolterol. A beta2-adrenergic receptor agonist, it is used for relief of bronchospasm in conditions such as asthma, chronic bronchitis and emphysema.

Bitolterol mesylate Basic Attributes

Molecular Weight：

745.06506

Exact Mass：

557.20800

EC Number：

250-177-5

Characteristics

PSA：

147.61000

XLogP3：

6.13900

Melting Point：

170-172 °C

Boiling Point：

640.5ºC at 760mmHg

Flash Point：

341.2ºC

Toxicity：

Intravenous-rat LD50: 44 mg/kg; Oral-mouse LD50: 4116 mg/kg

Flammability characteristics：

Thermal decomposition to emit toxic sulfur oxides and nitrogen oxide fumes

Safety Information

Storage features：

Warehouse ventilated, low temperature and dry

Toxicity

Toxicity class：

highly toxic

Drug Information

MeSH：

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

MeSH Entry Terms：

bitolterol

Bitolterol mesylate Use and Manufacturing

Uses

β2-adrenergic receptor agonist

Use Classification：

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

Computed Properties

Molecular Weight:557.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:10
Exact Mass:557.20833825
Monoisotopic Mass:557.20833825
Topological Polar Surface Area:148
Heavy Atom Count:39
Complexity:751
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes