50700-72-6
Product Name:
Vecuronium bromide
Formula:
C34H57BrN2O4
Synonyms:
1-[(2β,3α,5α,16β,17β)-3,17-Bis(acetyloxy)-2-(1-piperidinyl)androstan-16-yl]-1-methyl-piperidinium bromide;Vecuronium bromide
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 248.4 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
|---|
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
COMPUTED DESCRIPTORS
| Molecular Weight | 637.7 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 636.35017 g/mol |
| Monoisotopic Mass | 636.35017 g/mol |
| Topological Polar Surface Area | 55.8 Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 958 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 10 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Vecuronium bromide is the organic bromide salt of a 5alpha-androstane compound having 3alpha-acetoxy-, 17beta-acetoxy-, 2beta-piperidinino- and 16beta-N-methylpiperidinium substituents. It has a role as a nicotinic antagonist, a neuromuscular agent and a muscle relaxant. It is a quaternary ammonium salt and an organic bromide salt. It contains a vecuronium. It is functionally related to a 5alpha-androstane.