Atracurium EP Impurity B
TL;DR: Atracurium EP Impurity B (CAS 64228-84-8) is a chemical compound with molecular formula C51H66N2O12 and molecular weight 898.46 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
Also Known As: Atracurium EP Impurity B, EINECS 264-740-8, Atracurium Besilate EP Impurity B, (R,R)-N,N-Didemethyl atracurium, 1,5-pentanediyl bis[1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate]
| Molecular Formula | C51H66N2O12 |
|---|---|
| Molecular Weight | 898.46 g/mol |
| LogP | 7.7763 |
| Topological Polar Surface Area | 132.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 24 |
| Exact Mass | 898.46155 |
| Heavy Atoms | 65 |
| Complexity | 2059.302 |
Chemical Identifiers
| CAS Number | 64228-84-8 |
|---|---|
| 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 |
Product Overview
Atracurium EP Impurity B (CAS 64228-84-8), with molecular formula C51H66N2O12 and molecular weight 898.46 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.
Chemical Property Profile of Atracurium EP Impurity B
Property Insights of Atracurium EP Impurity B
The XLogP value of 7.7763 indicates that Atracurium EP Impurity B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.92 Ų falls within the moderate polarity range, balancing permeability and solubility for Atracurium EP Impurity B. Following Lipinski's Rule of Five, Atracurium EP Impurity B has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Atracurium EP Impurity B?
The CAS number of Atracurium EP Impurity B is 64228-84-8.
What is the molecular formula of Atracurium EP Impurity B?
The molecular formula of Atracurium EP Impurity B is C51H66N2O12.
What is the molecular weight of Atracurium EP Impurity B?
The molecular weight of Atracurium EP Impurity B is 898.46 g/mol.
Where can I buy Atracurium EP Impurity B?
You can request a quote for Atracurium EP Impurity B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Atracurium EP Impurity B?
Yes, KEHONG BIO provides custom synthesis services for Atracurium EP Impurity B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.