EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:7907 - pancuronium

ChEBI IDCHEBI:7907
ChEBI Namepancuronium
Stars
DefinitionA 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.
Secondary ChEBI IDCHEBI:406486
Last Modified24 April 2018
DownloadsMolfile
FormulaC35H60N2O4
Net Charge+2
Average Mass572.875
Monoisotopic Mass572.45421
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])C[C@H]([N+]3(C)CCCCC3)[C@]4([H])OC(C)=O)[C@@]1(C)C[C@H]([N+]1(C)CCCCC1)[C@@H](OC(C)=O)C2
InChIInChI=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
InChIKeyGVEAYVLWDAFXET-XGHATYIMSA-N
Wikipedia
Roles Classification
Biological Roles:
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.
Applications:
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.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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
PancuroniumKEGG COMPOUND
Manual XrefsDatabases
C07551KEGG COMPOUND
DB01337DrugBank
PancuroniumWikipedia
HMDB0015430HMDB
2052DrugCentral
Registry NumbersSources
Reaxys:1696212Reaxys
Citations