氯化多沙氯铵
TL;DR: 氯化多沙氯铵 (CAS 83348-52-1) is a chemical compound with molecular formula C56H78Cl2N2O16 and molecular weight 1104.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯化多沙氯铵
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 dichloride
Also Known As: DOXACURIUM CHLORIDE, Nuromax, Doxacurium, Doxacurii chloridum, Docusate sodium
| Molecular Formula | C56H78Cl2N2O16 |
|---|---|
| Molecular Weight | 1104.47 g/mol |
| LogP | 1.7178 |
| Topological Polar Surface Area | 163.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 27 |
| Exact Mass | 1104.4729 |
| Heavy Atoms | 76 |
| Complexity | 2374.026 |
Chemical Identifiers
| CAS Number | 83348-52-1 |
|---|---|
| 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.[Cl-].[Cl-] |
Product Overview
氯化多沙氯铵 (CAS 83348-52-1), with molecular formula C56H78Cl2N2O16 and molecular weight 1104.47 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 dichloride.
Chemical Property Profile of 氯化多沙氯铵
Property Insights of 氯化多沙氯铵
The XLogP value of 1.7178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氯化多沙氯铵. The TPSA of 163.36 Ų indicates high polarity, suggesting 氯化多沙氯铵 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 氯化多沙氯铵 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 氯化多沙氯铵?
The CAS number of 氯化多沙氯铵 is 83348-52-1.
What is the molecular formula of 氯化多沙氯铵?
The molecular formula of 氯化多沙氯铵 is C56H78Cl2N2O16.
What is the molecular weight of 氯化多沙氯铵?
The molecular weight of 氯化多沙氯铵 is 1104.47 g/mol.
Where can I buy 氯化多沙氯铵?
You can request a quote for 氯化多沙氯铵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯化多沙氯铵?
Yes, KEHONG BIO provides custom synthesis services for 氯化多沙氯铵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.