rocuronium   Click here for help

GtoPdb Ligand ID: 4003

Synonyms: Esmeron® | ORG-9426 | Zemuron®
Approved drug
rocuronium is an approved drug (FDA (2008))
Compound class: Synthetic organic
Comment: 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).
2D Structure
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Physico-chemical Properties
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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
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Isomeric SMILES C=CC[N+]1(CCCC1)[C@H]1C[C@@H]2[C@]([C@H]1OC(=O)C)(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)C[C@@H]([C@H](C2)O)N1CCOCC1
InChI InChI=1S/C32H53N2O4/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/q+1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-/m0/s1
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2008))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
6864 rocuronium bromide
Synonyms Click here for help
Esmeron® | ORG-9426 | Zemuron®
Database Links Click here for help
CAS Registry No. 143558-00-3 (source: Scifinder)
ChEMBL Ligand CHEMBL1201244
DrugBank Ligand DB00728
DrugCentral Ligand 2396
GtoPdb PubChem SID 178100829
PubChem CID 441290
Search Google for chemical match using the InChIKey YXRDKMPIGHSVRX-OOJCLDBCSA-N
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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