rocuronium   

GtoPdb Ligand ID: 4003

Synonyms: Esmeron® | ORG-9426 | Zemuron®
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
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
SMILES / InChI / InChIKey
Canonical SMILES C=CC[N+]1(CCCC1)C1CC2C(C1OC(=O)C)(C)CCC1C2CCC2C1(C)CC(C(C2)O)N1CCOCC1
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
InChI Key YXRDKMPIGHSVRX-OOJCLDBCSA-N
No information available.
Summary of Clinical Use
Used as an adjunct to general anaesthesia to enable rapid sequence and routine tracheal intubation, and to provide skeletal muscle relaxation during surgery or mechanical ventilation.
Mechanism Of Action and Pharmacodynamic Effects
Causes a decreased response to acetylcholine at the neuromuscular junction of skeletal muscle by competing with the binding of the neurotransmitter at cholinergic receptors. This results in muscle relaxation.
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