米库氯铵杂质85
TL;DR: 米库氯铵杂质85 (CAS 106861-44-3) is a chemical compound with molecular formula C58H80Cl2N2O14 and molecular weight 1098.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
米库氯铵杂质85
bis[3-[(1R)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] oct-4-enedioate dichloride
Also Known As: MIVACURIUM CHLORIDE, Mivacurium Chloride Impurity 85, (1R,1'R)-2,2'-(((oct-4-enedioyl)bis(oxy))bis(propane-3,1-diyl))bis(6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-2-ium) chloride
| Molecular Formula | C58H80Cl2N2O14 |
|---|---|
| Molecular Weight | 1098.50 g/mol |
| LogP | 3.04 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 30 |
| Exact Mass | 1098.4987 |
| Heavy Atoms | 76 |
| Complexity | 1550.0 |
Chemical Identifiers
| CAS Number | 106861-44-3 |
|---|---|
| SMILES | C[N+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)CCCOC(=O)CCC=CCCC(=O)OCCC[N+]4(CCC5=CC(=C(C=C5[C@H]4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)C.[Cl-].[Cl-] |
| InChIKey | WMSYWJSZGVOIJW-HCJLDSHNSA-L |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
米库氯铵杂质85 (CAS 106861-44-3), with molecular formula C58H80Cl2N2O14 and molecular weight 1098.50 g/mol. IUPAC: bis[3-[(1R)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] oct-4-enedioate dichloride.
Chemical Property Profile of 米库氯铵杂质85
Property Insights of 米库氯铵杂质85
The XLogP value of 3.04 indicates that 米库氯铵杂质85 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.0 Ų indicates high polarity, suggesting 米库氯铵杂质85 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 米库氯铵杂质85 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 米库氯铵杂质85?
The CAS number of 米库氯铵杂质85 is 106861-44-3.
What is the molecular formula of 米库氯铵杂质85?
The molecular formula of 米库氯铵杂质85 is C58H80Cl2N2O14.
What is the molecular weight of 米库氯铵杂质85?
The molecular weight of 米库氯铵杂质85 is 1098.50 g/mol.
Where can I buy 米库氯铵杂质85?
You can request a quote for 米库氯铵杂质85 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 米库氯铵杂质85?
Yes, KEHONG BIO provides custom synthesis services for 米库氯铵杂质85 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.