Ipratropium bromide monohydrateProduct ingredient for Ipratropium
- Name
- Ipratropium bromide monohydrate
- Drug Entry
- Ipratropium
Ipratropium is a quaternary ammonium derivative of atropine4 that acts as an anticholinergic agent.1 It is commonly administered through inhalation which allows producing a local effect without presenting a significant systemic absorption.4
Ipratropium as a therapeutic agent was developed by Boehringer Ingelheim and its first monotherapy product was FDA approved in 1986.11 On the other hand, the combination product of ipratropium and albuterol was approved in 1996.12
- Accession Number
- DBSALT000208
- Structure
Structure for Ipratropium bromide monohydrate (DBSALT000208)
- Synonyms
- Ipratropium bromide / Ipratropium bromide hydrate
- UNII
- J697UZ2A9J
- CAS Number
- 66985-17-9
- Weight
- Average: 430.383
Monoisotopic: 429.151472 - Chemical Formula
- C20H32BrNO4
- InChI Key
- KEWHKYJURDBRMN-XSAPEOHZSA-M
- InChI
- InChI=1S/C20H30NO3.BrH.H2O/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H;1H2/q+1;;/p-1/t16-,17+,18+,19?,21?;;
- IUPAC Name
- (1R,3R,5S)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-(propan-2-yl)-8-azabicyclo[3.2.1]octan-8-ium hydrate bromide
- SMILES
- O.[Br-].[H][[email protected]]12CC[[email protected]]([H])(C[[email protected]@H](C1)OC(=O)C(CO)C1=CC=CC=C1)[N+]2(C)C(C)C
- External Links
- PubChem Compound
- 43232
- ChemSpider
- 20016099
- ChEBI
- 5957
- ChEMBL
- CHEMBL2134724
- Wikipedia
- Ipratropium_bromide
- Predicted Properties
Property Value Source Water Solubility 0.000595 mg/mL ALOGPS logP 0.97 ALOGPS logP -1.8 ChemAxon logS -5.8 ALOGPS pKa (Strongest Acidic) 15.15 ChemAxon pKa (Strongest Basic) -2.7 ChemAxon Physiological Charge 1 ChemAxon Hydrogen Acceptor Count 2 ChemAxon Hydrogen Donor Count 1 ChemAxon Polar Surface Area 46.53 Å2 ChemAxon Rotatable Bond Count 6 ChemAxon Refractivity 105.9 m3·mol-1 ChemAxon Polarizability 37.57 Å3 ChemAxon Number of Rings 3 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter No ChemAxon Veber's Rule No ChemAxon MDDR-like Rule Yes ChemAxon