Cisatracurium
TL;DR: Cisatracurium (CAS 96946-41-7) is a chemical compound with molecular formula C53H72N2O12+2 and molecular weight 928.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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, Atracurium, Cisatracurium ion, Cisatracurium cation, Cisatracurium besilate
| Molecular Formula | C53H72N2O12+2 |
|---|---|
| Molecular Weight | 928.51 g/mol |
| LogP | 7.9 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 26 |
| Exact Mass | 928.50854 |
| Heavy Atoms | 67 |
| Complexity | 1390.0 |
Chemical Identifiers
| CAS Number | 96946-41-7 |
|---|---|
| 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 |
| InChIKey | YXSLJKQTIDHPOT-LJCJQEJUSA-N |
Product Overview
Cisatracurium (CAS 96946-41-7), with molecular formula C53H72N2O12+2 and molecular weight 928.51 g/mol. IUPAC: 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.
Chemical Property Profile of Cisatracurium
Property Insights of Cisatracurium
The XLogP value of 7.9 indicates that Cisatracurium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cisatracurium. Following Lipinski's Rule of Five, Cisatracurium has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cisatracurium?
The CAS number of Cisatracurium is 96946-41-7.
What is the molecular formula of Cisatracurium?
The molecular formula of Cisatracurium is C53H72N2O12+2.
What is the molecular weight of Cisatracurium?
The molecular weight of Cisatracurium is 928.51 g/mol.
Where can I buy Cisatracurium?
You can request a quote for Cisatracurium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cisatracurium?
Yes, KEHONG BIO provides custom synthesis services for Cisatracurium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.