Doxacurium
TL;DR: Doxacurium (CAS 133814-18-3) is a chemical compound with molecular formula C56H78N2O16+2 and molecular weight 1034.5352 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis[3-[6,7,8-trimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] butanedioate
Also Known As: Doxacurium, Nuromax, Doxacurium ion, Doxacurium cation, Doxacurii chloridum
Technical Specifications
| Molecular Formula | C56H78N2O16+2 |
| Molecular Weight | 1034.5352 g/mol |
| XLogP | 7.4 |
| Topological Polar Surface Area (TPSA) | 163.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 29 |
| Exact Mass | 1034.5352 Da |
| Heavy Atoms | 74 |
| Complexity | 1540.0 |
| Solubility | 9.02e-05 g/L |
| SMILES | C[N+]1(CCC2=CC(=C(C(=C2C1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)OC)CCCOC(=O)CCC(=O)OCCC[N+]4(CCC5=CC(=C(C(=C5C4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)OC)C |
| InChIKey | GBLRQXKSCRCLBZ-UHFFFAOYSA-N |
Chemical Property Profile of Doxacurium
Property Insights of Doxacurium
The XLogP value of 7.4 indicates that Doxacurium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 163.0 Ų indicates high polarity, suggesting Doxacurium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Doxacurium has 0 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Doxacurium?
The CAS number of Doxacurium is 133814-18-3.
What is the molecular formula of Doxacurium?
The molecular formula of Doxacurium is C56H78N2O16+2.
What is the molecular weight of Doxacurium?
The molecular weight of Doxacurium is 1034.5352 g/mol.
Where can I buy Doxacurium?
You can request a quote for Doxacurium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Doxacurium?
Yes, CoreyChem provides custom synthesis services for Doxacurium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.