Atracurium, (1R,2R,1'R,2'S)-(+/-)-
TL;DR: Atracurium, (1R,2R,1'R,2'S)-(+/-)- (CAS 1599467-96-5) is a chemical compound with molecular formula C53H72N2O12+2 and molecular weight 928.50854 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[3-[(1R,2S)-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: Atracurium, R-cis-R'-trans-Atracurium, Atracurium, (1R,2R,1'R,2'S)-(+/-)-, (1R,2R,1'R,2'S)-(+/-)-atracurium, CISATRACURIUM BESILATE IMPURITY H [EP IMPURITY]
Technical Specifications
| Molecular Formula | C53H72N2O12+2 |
| Molecular Weight | 928.50854 g/mol |
| XLogP | 7.9 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 26 |
| Exact Mass | 928.50854 Da |
| Heavy Atoms | 67 |
| Complexity | 1390.0 |
| 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 |
| InChIKey | YXSLJKQTIDHPOT-LGHDNDGLSA-N |
Chemical Property Profile of Atracurium, (1R,2R,1'R,2'S)-(+/-)-
Property Insights of Atracurium, (1R,2R,1'R,2'S)-(+/-)-
The XLogP value of 7.9 indicates that Atracurium, (1R,2R,1'R,2'S)-(+/-)- 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 Atracurium, (1R,2R,1'R,2'S)-(+/-)-. Following Lipinski's Rule of Five, Atracurium, (1R,2R,1'R,2'S)-(+/-)- has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Atracurium, (1R,2R,1'R,2'S)-(+/-)-?
The CAS number of Atracurium, (1R,2R,1'R,2'S)-(+/-)- is 1599467-96-5.
What is the molecular formula of Atracurium, (1R,2R,1'R,2'S)-(+/-)-?
The molecular formula of Atracurium, (1R,2R,1'R,2'S)-(+/-)- is C53H72N2O12+2.
What is the molecular weight of Atracurium, (1R,2R,1'R,2'S)-(+/-)-?
The molecular weight of Atracurium, (1R,2R,1'R,2'S)-(+/-)- is 928.50854 g/mol.
Where can I buy Atracurium, (1R,2R,1'R,2'S)-(+/-)-?
You can request a quote for Atracurium, (1R,2R,1'R,2'S)-(+/-)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Atracurium, (1R,2R,1'R,2'S)-(+/-)-?
Yes, CoreyChem provides custom synthesis services for Atracurium, (1R,2R,1'R,2'S)-(+/-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.