Ipratropium bromide monohydrate
TL;DR: Ipratropium bromide monohydrate (CAS 922491-06-3) is a chemical compound with molecular formula C20H32BrNO4 and molecular weight 429.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate;bromide;hydrate
Also Known As: ipratropium bromide, Atrovent, Combivent, Ipratropium bromide monohydrate, Ipratropiumbromide
| Molecular Formula | C20H32BrNO4 |
|---|---|
| Molecular Weight | 429.15 g/mol |
| LogP | -0.9666 |
| Topological Polar Surface Area | 47.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.15146 |
| Heavy Atoms | 26 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 922491-06-3 |
|---|---|
| SMILES | CC(C)[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.O.[Br-] |
| InChIKey | KEWHKYJURDBRMN-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ipratropium bromide monohydrate (CAS 922491-06-3), with molecular formula C20H32BrNO4 and molecular weight 429.15 g/mol. IUPAC: (8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate;bromide;hydrate.
Chemical Property Profile of Ipratropium bromide monohydrate
Property Insights of Ipratropium bromide monohydrate
The XLogP value of -0.9666 indicates that Ipratropium bromide monohydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 47.5 Ų, Ipratropium bromide monohydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ipratropium bromide monohydrate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ipratropium bromide monohydrate?
The CAS number of Ipratropium bromide monohydrate is 922491-06-3.
What is the molecular formula of Ipratropium bromide monohydrate?
The molecular formula of Ipratropium bromide monohydrate is C20H32BrNO4.
What is the molecular weight of Ipratropium bromide monohydrate?
The molecular weight of Ipratropium bromide monohydrate is 429.15 g/mol.
Where can I buy Ipratropium bromide monohydrate?
You can request a quote for Ipratropium bromide monohydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ipratropium bromide monohydrate?
Yes, KEHONG BIO provides custom synthesis services for Ipratropium bromide monohydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.