64228-79-1
Product Name:
Atracurium besylate
Formula:
C53H72N2O12+2
Synonyms:
2,2′-[1,5-Pentanediylbis[oxy(3-oxo-3,1-propanediyl)]]bis[1-[3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinolinium]dibenzenesulfonate;BW-33A;Tracrium
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Melting Point | 185 - 194 °C |
| Solubility | 2.32e-05 g/L |
COMPUTED DESCRIPTORS
| Molecular Weight | 929.1 g/mol |
|---|---|
| XLogP3 | 7.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 26 |
| Exact Mass | 928.50852574 g/mol |
| Monoisotopic Mass | 928.50852574 g/mol |
| Topological Polar Surface Area | 126 Ų |
| Heavy Atom Count | 67 |
| Formal Charge | 2 |
| Complexity | 1390 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Atracurium is a diester compound consisting of pentane-1,5-diol with both hydroxyls bearing 3-[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolinium-2(1H)-yl]propanoyl groups. It has a role as a muscle relaxant and a nicotinic antagonist. It is a quaternary ammonium ion and a diester.