C20H30BrNO3 X H2O

Base Information

• Chemical Name: C20H30BrNO3 X H2O
• CAS No.: 66985-17-9
• Molecular Formula: C20H30 N O3 . Br . H2 O
• Molecular Weight: 430.38
• 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: 66985-17-9.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:

• Melting Point: 231 °C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 46.53000
• Density: g/cm³
• LogP: 0.02610
• Storage Temp.: 2-8°C
• Solubility.: H2O: soluble10mg/mL
• 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%min, ^*data from raw suppliers

Ipratropium Bromide Monohydrate ^*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: Ipratropium bromide monohydrate has been used for the inhibition of peripheral muscarinic receptors in rats. antihypertensive
• Clinical Use: Anticholinergic bronchodilator: Reversible airways obstruction, particularly in COPD
• Drug interactions: Potentially hazardous interactions with other drugs None known