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Rocuronium bromide

CAT: 0013-GTR19176410-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19176410-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Rocuronium bromide is a non-depolarizing aminosteroid neuromuscular blocking agent. It is primarily used in clinical and research settings to induce muscle relaxation for procedures like endotracheal intubation during surgery or mechanical ventilation. Its applications extend to pharmacological studies investigating neuromuscular transmission in both in vivo and in vitro experimental models.
CAS Number
119302-91-9
Product Name Alternative
Inhibitor, inhibit, ORG 9426, ORG 9426 (Bromide), ORG9426, ORG-9426, mAChR, Rocuronium, Rocuronium Bromide, Rocuronium bromide
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
99.77% (May vary between batches)
Solubility
H2O:112 mg/mL (183.7 mM) ; DMSO:113 mg/mL (185.34 mM) ; Ethanol:113 mg/mL (185.34 mM) ;10% DMSO+90% Corn Oil:3.3 mg/mL (5.41 mM)
Smiles
[Br-].[H][C@@]12C[C@@H] ([C@H] (OC (C) =O) [C@@]1 (C) CC[C@@]1 ([H]) [C@@]2 ([H]) CC[C@@]2 ([H]) C[C@H] (O) [C@H] (C[C@]12C) N1CCOCC1) [N+]1 (CC=C) CCCC1
Molecular Formula
C32H53BrN2O4
Molecular Weight
609.68
Storage Conditions
-20°C
Notes
For research use only.

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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