CHEBI:9939 - vecuronium

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ChEBI Name vecuronium
Definition A 5α-androstane compound having 3α-acetoxy-, 17β-acetoxy-, 2β-piperidino- and 16β-N-methylpiperidinium substituents.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C34H57N2O4
Net Charge +1
Average Mass 557.82740
Monoisotopic Mass 557.43128
InChI InChI=1S/C34H57N2O4/c1-23(37)39-31-20-25-12-13-26-27(34(25,4)22-29(31)35-16-8-6-9-17-35)14-15-33(3)28(26)21-30(32(33)40-24(2)38)36(5)18-10-7-11-19-36/h25-32H,6-22H2,1-5H3/q+1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
SMILES [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](OC(C)=O)[C@H](C[C@@]34[H])[N+]3(C)CCCCC3)[C@@]1(C)C[C@@H]([C@H](C2)OC(C)=O)N1CCCCC1
Roles Classification
Biological Role(s): drug allergen
Any drug which causes the onset of an allergic reaction.
nicotinic antagonist
An antagonist at the nicotinic cholinergic receptor.
Application(s): drug allergen
Any drug which causes the onset of an allergic reaction.
muscle relaxant
A drug used to produce muscle relaxation (excepting neuromuscular blocking agents). Its primary clinical and therapeutic use is the treatment of muscle spasm and immobility associated with strains, sprains, and injuries of the back and, to a lesser degree, injuries to the neck. Also used for the treatment of a variety of clinical conditions that have in common only the presence of skeletal muscle hyperactivity, for example, the muscle spasms that can occur in multiple sclerosis.
nicotinic antagonist
An antagonist at the nicotinic cholinergic receptor.
neuromuscular agent
A drug used for its actions on skeletal muscle.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing vecuronium (CHEBI:9939) has parent hydride 5α-androstane (CHEBI:28859)
vecuronium (CHEBI:9939) has role drug allergen (CHEBI:88188)
vecuronium (CHEBI:9939) has role muscle relaxant (CHEBI:51371)
vecuronium (CHEBI:9939) has role neuromuscular agent (CHEBI:51372)
vecuronium (CHEBI:9939) has role nicotinic antagonist (CHEBI:48878)
vecuronium (CHEBI:9939) is a acetate ester (CHEBI:47622)
vecuronium (CHEBI:9939) is a androstane (CHEBI:35509)
vecuronium (CHEBI:9939) is a quaternary ammonium ion (CHEBI:35267)
Incoming vecuronium bromide (CHEBI:9940) has part vecuronium (CHEBI:9939)
Manual Xrefs Databases
2811 DrugCentral
DB01339 DrugBank
View more database links
Registry Numbers Types Sources
7173466 Beilstein Registry Number Beilstein
7173466 Reaxys Registry Number Reaxys
86029-43-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10594422 PubMed citation Europe PMC
17667569 PubMed citation Europe PMC
23200725 PubMed citation Europe PMC
23641322 PubMed citation Europe PMC
23769073 PubMed citation Europe PMC
23903895 PubMed citation Europe PMC
24067332 PubMed citation Europe PMC
29368335 PubMed citation Europe PMC
7574008 PubMed citation Europe PMC
8179178 PubMed citation Europe PMC
Last Modified
12 March 2019