Atracurium mesylate
TL;DR: Atracurium mesylate (CAS 64228-80-4) is a chemical compound with molecular formula C55H78N2O18S2 and molecular weight 1118.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate;methanesulfonate
Also Known As: Atracurium mesylate, EINECS 264-742-9, 2,2'-(1,5-Pentanediylbis(oxy(3-oxo-3,1-propanediyl)))bis(1-((3,4-dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinolinium) dimethanesulphonate, 2,2'-((Pentane-1,5-diylbis(oxy))bis(3-oxopropane-3,1-diyl))bis(1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium) methanesulfonate, 2,2'-[1,5-pentanediylbis[oxy(3-oxo-3,1-propanediyl)]]bis[1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinolinium] dimethanesulphonate
| Molecular Formula | C55H78N2O18S2 |
|---|---|
| Molecular Weight | 1118.47 g/mol |
| LogP | 6.3883 |
| Topological Polar Surface Area | 240.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 24 |
| Exact Mass | 1118.4691 |
| Heavy Atoms | 77 |
| Complexity | 2622.0452 |
Chemical Identifiers
| CAS Number | 64228-80-4 |
|---|---|
| SMILES | C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C.CS(=O)(=O)[O-].CS(=O)(=O)[O-] |
Product Overview
Atracurium mesylate (CAS 64228-80-4), with molecular formula C55H78N2O18S2 and molecular weight 1118.47 g/mol. IUPAC: 5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate;methanesulfonate.
Chemical Property Profile of Atracurium mesylate
Property Insights of Atracurium mesylate
The XLogP value of 6.3883 indicates that Atracurium mesylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 240.84 Ų indicates high polarity, suggesting Atracurium mesylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Atracurium mesylate has 0 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Atracurium mesylate?
The CAS number of Atracurium mesylate is 64228-80-4.
What is the molecular formula of Atracurium mesylate?
The molecular formula of Atracurium mesylate is C55H78N2O18S2.
What is the molecular weight of Atracurium mesylate?
The molecular weight of Atracurium mesylate is 1118.47 g/mol.
Where can I buy Atracurium mesylate?
You can request a quote for Atracurium mesylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Atracurium mesylate?
Yes, KEHONG BIO provides custom synthesis services for Atracurium mesylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.