Rocuronium bromideProduct ingredient for Rocuronium
- Name
- Rocuronium bromide
- Drug Entry
- Rocuronium
Rocuronium (rapid onset-curonium) is a desacetoxy analogue of vecuronium with a more rapid onset of action. It is an aminosteroid non-depolarizing neuromuscular blocker or muscle relaxant used in modern anaesthesia, to facilitate endotracheal intubation and to provide skeletal muscle relaxation during surgery or mechanical ventilation. Introduced in 1994, rocuronium has rapid onset, and intermediate duration of action. It is commonly marketed under the trade names Zemuron and Esmeron. The drug is associated with the risk of developing allergic reactions in some high-risk patients, such as those with asthma. However, there was a similar incidence of allergic reactions associated with other non-depolarizing neuromuscular blocking agents. Sugammadex is a γ-cyclodextrin derivative that has been introduced as a novel agent to reverse the action of rocuronium.
- Accession Number
- DBSALT000575
- Structure
Structure for Rocuronium bromide (DBSALT000575)
- Synonyms
- Not Available
- UNII
- I65MW4OFHZ
- CAS Number
- 119302-91-9
- Weight
- Average: 609.678
Monoisotopic: 608.318870841 - Chemical Formula
- C32H53BrN2O4
- InChI Key
- OYTJKRAYGYRUJK-FMCCZJBLSA-M
- 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
- IUPAC Name
- 1-[(1R,2S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-1-(acetyloxy)-7-hydroxy-9a,11a-dimethyl-8-(morpholin-4-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl]-1-(prop-2-en-1-yl)pyrrolidin-1-ium bromide
- 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
- External Links
- PubChem Compound
- 441351
- ChemSpider
- 390104
- BindingDB
- 50248153
- ChEBI
- 8885
- ChEMBL
- CHEMBL1200648
- Wikipedia
- Rocuronium_bromide
- Predicted Properties
Property Value Source Water Solubility 0.000164 mg/mL ALOGPS logP 2.01 ALOGPS logP -0.33 Chemaxon logS -6.6 ALOGPS pKa (Strongest Acidic) 14.59 Chemaxon pKa (Strongest Basic) 7.96 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 59 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 161.65 m3·mol-1 Chemaxon Polarizability 62.78 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon