Rocuronium

Base Information

• Chemical Name: Rocuronium
• CAS No.: 143558-00-3
• Molecular Formula: C32H53N2O4
• Molecular Weight: 529.78
• UNII: WRE554RFEZ
• DSSTox Substance ID: DTXSID6048339
• Nikkaji Number: J441.674K
• Wikidata: Q185331
• NCI Thesaurus Code: C80999
• RXCUI: 68139
• Pharos Ligand ID: PAJ7K121N5YW
• Metabolomics Workbench ID: 43034
• ChEMBL ID: CHEMBL1201244
• Mol file: 143558-00-3.mol

Synonyms:1-(17-(acetoyl)-3-hydroxy-2-(4-morpholinyl)androstan-16-yl)-1-(2-propenyl)pyrrolidinium;Androstane-3,17-diol, 2-(4-morpholinyl)-16-(1-(2-propen-1-yl)-1-pyrrolidiniumyl)-, 17-acetate, (2beta,3alpha,5alpha,16beta,17beta)-;Esmeron;Esmerone;ORG 9426;ORG-9426;ORG9426;pyrrolidinium, 1-((2beta,3alpha,5alpha,16beta,17beta)-17-(acetyloxy)-3-hydroxy-2-(4-morpholinyl)androstan-16-yl)-1-(2-propenyl)-, bromide;rocuronium;rocuronium bromide;Zemuron

Chemical Property of Rocuronium

Chemical Property:

• PSA: 59.00000
• LogP: 4.30420
• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 529.40053318
• Heavy Atom Count: 38
• Complexity: 898

Purity/Quality:

98%min ^*data from raw suppliers

Rocuronium >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1C(CC2C1(CCC3C2CCC4C3(CC(C(C4)O)N5CCOCC5)C)C)[N+]6(CCCC6)CC=C
• Isomeric 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
• Recent ClinicalTrials: Intubating Conditions During Rapid Sequence Induction in Elderly With Either Suxamethonium 1.0 mg/kg or Rocuronium 1.0 mg/kg
• Recent EU Clinical Trials: Deep versus moderate neuromuscular blockade during total HIP replacement surgery to improve POstoperative quality of recovery and immune function: a randomized controlled study
• Recent NIPH Clinical Trials: A Comparative study of the efficacy of Glidescope versus Macintosh direct laryngoscopy for intubation in pediatric patients undergoing cardiac surgery