rocuronium

Ligand id: 4003

Name: rocuronium

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 59
Molecular weight 529.4
XLogP 5.03
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2008))
IUPAC Name
1-[(1S,2S,4S,5S,7S,10R,11S,13S,14R,15S)-14-(acetyloxy)-5-hydroxy-2,15-dimethyl-4-(morpholin-4-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-13-yl]-1-(prop-2-en-1-yl)pyrrolidin-1-ium
International Nonproprietary Names
INN number INN
6864 rocuronium bromide
Synonyms
Esmeron® | ORG-9426 | Zemuron®
Database Links
CAS Registry No. 143558-00-3 (source: Scifinder)
ChEMBL Ligand CHEMBL1201244
DrugBank Ligand DB00728
GtoPdb PubChem SID 178100829
PubChem CID 441290
Search Google for chemical match using the InChIKey YXRDKMPIGHSVRX-OOJCLDBCSA-N
Search Google for chemicals with the same backbone YXRDKMPIGHSVRX
Search PubMed clinical trials rocuronium bromide
Search PubMed titles rocuronium bromide
Search PubMed titles/abstracts rocuronium bromide
Search UniChem for chemical match using the InChIKey YXRDKMPIGHSVRX-OOJCLDBCSA-N
Search UniChem for chemicals with the same backbone YXRDKMPIGHSVRX
Wikipedia Rocuronium_bromide
Comments
Approved as rocuronium bromide.
The neuromuscular blockade induced by rocuronium can be reversed by administering the selective relaxant binding agent (SRBA) sugammadex (PubChem CID 6918584, a.k.a. Bridion®, Org 25969).