Atracurium oxalate
TL;DR: Atracurium oxalate (CAS 96687-52-4) is a chemical compound with molecular formula C55H70N2O20 and molecular weight 1078.45 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-3,4-dihydro-1H-isoquinolin-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoate;oxalic acid
Also Known As: Atracurium oxalate, Atracurium dioxalate, Atracuriumdioxalate, CisAtracurium Oxalate, cis-Atracurium oxalate
| Molecular Formula | C55H70N2O20 |
|---|---|
| Molecular Weight | 1078.45 g/mol |
| LogP | 6.0875 |
| Topological Polar Surface Area | 282.12 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 24 |
| Exact Mass | 1078.4521 |
| Heavy Atoms | 77 |
| Complexity | 2437.4812 |
Chemical Identifiers
| CAS Number | 96687-52-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2CCC(=O)OCCCCCOC(=O)CCN4CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)OC)OC)OC.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
Product Overview
Atracurium oxalate (CAS 96687-52-4), with molecular formula C55H70N2O20 and molecular weight 1078.45 g/mol. IUPAC: 5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoate;oxalic acid.
Chemical Property Profile of Atracurium oxalate
Property Insights of Atracurium oxalate
The XLogP value of 6.0875 indicates that Atracurium oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 282.12 Ų indicates high polarity, suggesting Atracurium oxalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Atracurium oxalate has 4 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 oxalate?
The CAS number of Atracurium oxalate is 96687-52-4.
What is the molecular formula of Atracurium oxalate?
The molecular formula of Atracurium oxalate is C55H70N2O20.
What is the molecular weight of Atracurium oxalate?
The molecular weight of Atracurium oxalate is 1078.45 g/mol.
Where can I buy Atracurium oxalate?
You can request a quote for Atracurium oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Atracurium oxalate?
Yes, KEHONG BIO provides custom synthesis services for Atracurium oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.