Cisatracurium Besylate
TL;DR: Cisatracurium Besylate (CAS 96946-42-8) is a chemical compound with molecular formula C65H82N2O18S2 and molecular weight 1242.5004 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzenesulfonate;5-[3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate
Also Known As: Cisatracurium besylate, Nimbex, Cisatracurium besilate, Cisatracurium, Atracurium
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C65H82N2O18S2 |
| Molecular Weight | 1242.5004 g/mol |
| XLogP | 9.25 |
| Topological Polar Surface Area (TPSA) | 258.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 26 |
| Exact Mass | 1242.5004 Da |
| Heavy Atoms | 87 |
| Complexity | 1560.0 |
| SMILES | C[N@@+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N@+]4(CCC5=CC(=C(C=C5[C@H]4CC6=CC(=C(C=C6)OC)OC)OC)OC)C.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | XXZSQOVSEBAPGS-DONVQRBFSA-L |
Chemical Property Profile of Cisatracurium Besylate
Property Insights of Cisatracurium Besylate
The XLogP value of 9.25 indicates that Cisatracurium Besylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 258.0 Ų indicates high polarity, suggesting Cisatracurium Besylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cisatracurium Besylate has 0 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Cisatracurium Besylate?
The CAS number of Cisatracurium Besylate is 96946-42-8.
What is the molecular formula of Cisatracurium Besylate?
The molecular formula of Cisatracurium Besylate is C65H82N2O18S2.
What is the molecular weight of Cisatracurium Besylate?
The molecular weight of Cisatracurium Besylate is 1242.5004 g/mol.
Where can I buy Cisatracurium Besylate?
You can request a quote for Cisatracurium Besylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cisatracurium Besylate?
Yes, CoreyChem provides custom synthesis services for Cisatracurium Besylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.