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Rocuronium (Bromide)

CAT: 0804-HY-17440-06Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-17440-06Size:500 mg
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Description
Rocuronium Bromide (ORG 9426 Bromide) is an aminosteroid non-depolarizing neuromuscular blocker or muscle relaxant used in modern anaesthesia, to facilitate endotracheal intubation and to provide skeletal musclerelaxation during surgery or mechanical ventilation.
CAS Number
119302-91-9
Product Name Alternative
ORG 9426 (Bromide)
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
NAChR
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease; Cancer
Assay Protocol
https://www.medchemexpress.com/rocuronium-bromide.html
Concentration
10mM
Purity
98.0
Solubility
DMSO : 100 mg/mL (ultrasonic) |H2O : 100 mg/mL (ultrasonic)
Smiles
C[C@@]12[C@](C[C@H]([N+]3(CC=C)CCCC3)[C@@H]2OC(C)=O)([H])[C@]([C@]4([H])CC1)([H])CC[C@@]([C@]4(C)C5)([H])C[C@H](O)[C@H]5N6CCOCC6.[Br-]
Molecular Formula
C32H53BrN2O4
Molecular Weight
609.68
Precautions
H302, H315, H319, H335
References & Citations
[1]Narimatsu E, Niiya T, Takahashi K, Pralidoxime inhibits paraoxon-induced depression of rocuronium-neuromuscular block in a time-dependentfashion. Am J Emerg Med. 2012 Jul;30 (6) :901-7.|[2]Wicks TC. The pharmacology of rocuronium bromide (ORG 9426) . AANA J. 1994 Feb;62 (1) :33-8.|[3]Wierda JM, Kleef UW, Lambalk LM, The pharmacodynamics and pharmacokinetics of Org 9426, a new non-depolarizing neuromuscular blocking agent, in patients anaesthetized with nitrous oxide, halothane and fentanyl. Can J Anaesth. 1991 May;38 (4 Pt 1) :430-5.|[4]Khuenl-Brady K, Castagnoli KP, Canfell PC, The neuromuscular blocking effects and pharmacokinetics of ORG 9426 and ORG 9616 in the cat. Anesthesiology. 1990 Apr;72 (4) :669-74.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
Launched
Citation 01
Sci Rep. 2017 Apr 5;7:46098.|Hum Mol Genet. 2015 Aug 15;24 (16) :4648-59.

Chemical Information

Rocuronium Bromide

Rocuronium bromide is the organic bromide salt of a 5alpha androstane compound having 3alpha-hydroxy-, 17beta-acetoxy-, 2beta-morpholino- and 16beta-N-allyllyrrolidinium substituents. It has a role as a muscle relaxant and a neuromuscular agent. It is a quaternary ammonium salt and an organic bromide salt. It contains a rocuronium. It derives from a hydride of a 5alpha-androstane.

CAS Number119302-91-9
PubChem CID441351
IUPAC Name[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate bromide
Molecular FormulaC32H53BrN2O4
Molecular Weight609.7
Topological Polar Surface Area59
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count39
Formal Charge0
Complexity898
SMILES
CC(=O)O[C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)N5CCOCC5)C)C)[N+]6(CCCC6)CC=C.[Br-]
InChI
InChI=1S/C32H53N2O4.BrH/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35;/h5,23-30,36H,1,6-21H2,2-4H3;1H/q+1;/p-1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-;/m0./s1
InChIKey
OYTJKRAYGYRUJK-FMCCZJBLSA-M
Chemical Structure
2D Structure
2D structure of Rocuronium Bromide
CAS: 119302-91-9
CID: 441351
Formula: C32H53BrN2O4
MW: 609.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight609.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass608.31887
Monoisotopic Mass608.31887
Topological Polar Surface Area59 Ų
Heavy Atom Count39
Formal Charge0
Complexity898
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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CatalogName
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