CHEBI:7907 - pancuronium

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ChEBI Name pancuronium
ChEBI ID CHEBI:7907
Definition A steroid ester in which a 5α-androstane skeleton is C-3α- and C-17β-disubstituted with acetoxy groups and 2β- and 16β-disubstituted with 1-methylpiperidinium-1-yl groups. It is a non-depolarizing curare-mimetic muscle relaxant.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:406486
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Formula C35H60N2O4
Net Charge +2
Average Mass 572.86190
Monoisotopic Mass 572.455
InChI InChI=1S/C35H60N2O4/c1-24(38)40-32-21-26-13-14-27-28(35(26,4)23-31(32)37(6)19-11-8-12-20-37)15-16-34(3)29(27)22-30(33(34)41-25(2)39)36(5)17-9-7-10-18-36/h26-33H,7-23H2,1-6H3/q+2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-/m0/s1
InChIKey GVEAYVLWDAFXET-XGHATYIMSA-N
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)[N+]1(C)CCCCC1
Roles Classification
Biological Role(s): nicotinic antagonist
An antagonist at the nicotinic cholinergic receptor.
cholinergic antagonist
Any drug that binds to but does not activate cholinergic receptors, thereby blocking the actions of acetylcholine or cholinergic agonists.
Application(s): nicotinic antagonist
An antagonist at the nicotinic cholinergic receptor.
cholinergic antagonist
Any drug that binds to but does not activate cholinergic receptors, thereby blocking the actions of acetylcholine or cholinergic agonists.
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.
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ChEBI Ontology
Outgoing pancuronium (CHEBI:7907) has role cholinergic antagonist (CHEBI:48873)
pancuronium (CHEBI:7907) has role muscle relaxant (CHEBI:51371)
pancuronium (CHEBI:7907) has role nicotinic antagonist (CHEBI:48878)
pancuronium (CHEBI:7907) is a acetate ester (CHEBI:47622)
pancuronium (CHEBI:7907) is a steroid ester (CHEBI:47880)
Incoming pancuronium bromide (CHEBI:7908) has part pancuronium (CHEBI:7907)
IUPAC Name
3α,17β-diacetoxy-2β,16β-bis(1-methylpiperidinium-1-yl)-5α-androstane
Synonym Source
Pancuronium KEGG COMPOUND
Manual Xrefs Databases
2052 DrugCentral
C07551 KEGG COMPOUND
DB01337 DrugBank
HMDB0015430 HMDB
Pancuronium Wikipedia
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Registry Number Type Source
1696212 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
22486886 PubMed citation Europe PMC
24827571 PubMed citation Europe PMC
24985148 PubMed citation Europe PMC
29368335 PubMed citation Europe PMC
6196640 PubMed citation Europe PMC
Last Modified
24 April 2018