Ipratropium bromide anhydrousProduct ingredient for Ipratropium
- Name
- Ipratropium bromide anhydrous
- 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, while the combination product of ipratropium and albuterol was approved in 1996.12,11
- Accession Number
- DBSALT002739
- Structure
Structure for Ipratropium bromide anhydrous (DBSALT002739)
- Synonyms
- Not Available
- UNII
- VJV4X1P2Z1
- CAS Number
- 22254-24-6
- Weight
- Average: 412.368
Monoisotopic: 411.140907 - Chemical Formula
- C20H30BrNO3
- InChI Key
- LHLMOSXCXGLMMN-WDTICOSOSA-M
- InChI
- InChI=1S/C20H30NO3.BrH/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/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 bromide
- SMILES
- [Br-].[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)C1=CC=CC=C1)[N+]2(C)C(C)C
- External Links
- ChemSpider
- 10481997
- BindingDB
- 50021892
- ChEMBL
- CHEMBL1464005
- Wikipedia
- Ipratropium_bromide
- Predicted Properties
Property Value Source Water Solubility 0.000701 mg/mL ALOGPS logP 0.21 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