Atropine methylbromide
TL;DR: Atropine methylbromide (CAS 2870-71-5) is a chemical compound with molecular formula C18H26BrNO3 and molecular weight 383.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate bromide
Also Known As: Mintussin, Mydriasin, Methylatropine bromide, Tropin, Atropine methylbromide
| Molecular Formula | C18H26BrNO3 |
|---|---|
| Molecular Weight | 383.11 g/mol |
| LogP | -0.92 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.10962 |
| Heavy Atoms | 23 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 2870-71-5 |
|---|---|
| SMILES | C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[Br-] |
| InChIKey | XMLNCADGRIEXPK-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Atropine methylbromide (CAS 2870-71-5), with molecular formula C18H26BrNO3 and molecular weight 383.11 g/mol. IUPAC: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate bromide.
Chemical Property Profile of Atropine methylbromide
Property Insights of Atropine methylbromide
The XLogP value of -0.92 indicates that Atropine methylbromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.5 Ų, Atropine methylbromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Atropine methylbromide has 1 hydrogen bond donor(s) and 4 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 Atropine methylbromide?
The CAS number of Atropine methylbromide is 2870-71-5.
What is the molecular formula of Atropine methylbromide?
The molecular formula of Atropine methylbromide is C18H26BrNO3.
What is the molecular weight of Atropine methylbromide?
The molecular weight of Atropine methylbromide is 383.11 g/mol.
Where can I buy Atropine methylbromide?
You can request a quote for Atropine methylbromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Atropine methylbromide?
Yes, KEHONG BIO provides custom synthesis services for Atropine methylbromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.