Ipratropium bromide

Base Information

• Chemical Name: Ipratropium bromide
• CAS No.: 60251-88-9
• Deprecated CAS: 22254-36-0,197647-05-5
• Molecular Formula: C20H30 N O3 . Br
• Molecular Weight: 777.42804
• European Community (EC) Number: 262-128-5,244-873-8,246-197-9,622-130-2
• UNII: VJV4X1P2Z1
• DSSTox Substance ID: DTXSID60858923,DTXSID10860753
• Wikipedia: Ipratropium_bromide
• Wikidata: Q424294
• NCI Thesaurus Code: C170538
• RXCUI: 203212
• Pharos Ligand ID: 9X69BB6AF6LC
• ChEMBL ID: CHEMBL1464005
• Mol file: 60251-88-9.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 Ipratropium bromide

Chemical Property:

• 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% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

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]2CC[C@H]1CC(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