Meso-doxacurium
TL;DR: Meso-doxacurium (CAS 106791-39-3) is a chemical compound with molecular formula C56H78N2O16+2 and molecular weight 1034.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-[3-[(1S,2R)-6,7,8-trimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] 4-O-[3-[(1R,2S)-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: meso-doxacurium, Doxacurium, Doxacurium cation, Doxacurium [VANDF], MESO DOXACURIUM
| Molecular Formula | C56H78N2O16+2 |
|---|---|
| Molecular Weight | 1034.54 g/mol |
| LogP | 7.7098 |
| Topological Polar Surface Area | 163.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 27 |
| Exact Mass | 1034.5352 |
| Heavy Atoms | 74 |
| Complexity | 2360.6829 |
Chemical Identifiers
| CAS Number | 106791-39-3 |
|---|---|
| SMILES | C[N@+]1(CCC2=CC(=C(C(=C2[C@H]1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)OC)CCCOC(=O)CCC(=O)OCCC[N@+]4(CCC5=CC(=C(C(=C5[C@@H]4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)OC)C |
Product Overview
Meso-doxacurium (CAS 106791-39-3), with molecular formula C56H78N2O16+2 and molecular weight 1034.54 g/mol. IUPAC: 1-O-[3-[(1S,2R)-6,7,8-trimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] 4-O-[3-[(1R,2S)-6,7,8-trimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] butanedioate.
Chemical Property Profile of Meso-doxacurium
Property Insights of Meso-doxacurium
The XLogP value of 7.7098 indicates that Meso-doxacurium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 163.36 Ų indicates high polarity, suggesting Meso-doxacurium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Meso-doxacurium has 0 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Meso-doxacurium?
The CAS number of Meso-doxacurium is 106791-39-3.
What is the molecular formula of Meso-doxacurium?
The molecular formula of Meso-doxacurium is C56H78N2O16+2.
What is the molecular weight of Meso-doxacurium?
The molecular weight of Meso-doxacurium is 1034.54 g/mol.
Where can I buy Meso-doxacurium?
You can request a quote for Meso-doxacurium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Meso-doxacurium?
Yes, KEHONG BIO provides custom synthesis services for Meso-doxacurium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.