C20H30BrNO3 X H2O

Base Information

• Chemical Name: C20H30BrNO3 X H2O
• CAS No.: 22254-24-6
• Molecular Formula: C20H30NO3.Br
• Molecular Weight: 412.42
• Hs Code.: 2933990090
• European Community (EC) Number: 244-873-8,622-130-2
• NSC Number: 759613
• Wikipedia: Ipratropium_bromide
• NCI Thesaurus Code: C29128
• RXCUI: 203212
• Mol file: 22254-24-6.mol

Synonyms:(endo,syn)-(+-)-3-(3-Hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(1-methylethyl)-8-azoniabicyclo(3.2.1)octane;Atrovent;Ipratropium;Ipratropium Bromide;Ipratropium Bromide Anhydrous;Ipratropium Bromide Monohydrate;Ipratropium Bromide, (endo,anti)-Isomer;Ipratropium Bromide, (exo,syn)-Isomer;Ipratropium Bromide, endo-Isomer;Itrop;N Isopropylatropine;N-Isopropylatropine;Sch 1000;Sch 1178;Sch-1000;Sch-1178;Sch1000;Sch1178

Chemical Property of C20H30BrNO3 X H2O

Chemical Property:

• Appearance/Colour: white powder
• Melting Point: 230-232 °C
• PSA: 46.53000
• LogP: -0.18310
• Storage Temp.: Store at RT
• Solubility.: H2O: 10 mg/mL
• Water Solubility.: Freely soluble
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 411.14091
• Heavy Atom Count: 25
• Complexity: 430

Purity/Quality:

99.9% ^*data from raw suppliers

Ipratropium bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[Br-]
• Isomeric SMILES: CC(C)[N+]1([C@@H]2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[Br-]
• Recent ClinicalTrials: Role of Parasympathetic Activity in Mild to Severe Asthma With Fixed Airway Obstruction (PARASMA Study)
• Recent EU Clinical Trials: Mechanisms of adverse effects of long-acting beta-agonists in asthma
• Uses: N-Isopropyl quaternary salt of Atropine. Nonselective muscarinic acetylcholine receptor antagonist; bronchodilator This drug exhibits broncholytic action by reducing cholinergic influence on bronchial musculature (m-cholinoblocking action). It relieves bronchial spasms. It is used to treat and prevent minor and moderate bronchial asthma, especially asthma that is accompanied by cardiovascular system diseases. Ipratropium Bromide is a nonselective muscarinic acetylcholine receptor antagonist; bronchodilator.
• Therapeutic Function: Bronchodilator
• Clinical Use: Ipratropium bromide is used in inhalation therapy toproduce dilation of bronchial smooth muscle for acute asthmaticattacks. The drug produces bronchodilation by competitiveinhibition of cholinergic receptors bound to smooth muscle of the bronchioles. Ipratropium may also act on thesurface of mast cells to inhibit ACh-enhanced release ofchemical mediators. The drug has a slow onset of action,within 5 to 15 minutes after being administered by inhalation,and should not be used alone for acute asthmatic attacks.The peak therapeutic effect from one dose is observedbetween 1 and 2 hours. The effects of the drug last for about6 hours. It has a half-life of 3.5 hours. Ipratropium bromide (Atrovent) is a quaternary amine derivative that is used via inhalation in the treatment of chronic obstructive pulmonary disease and to a lesser extent, asthma.