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CHEBI:7908 - pancuronium bromide

ChEBI IDCHEBI:7908
ChEBI Namepancuronium bromide
Stars
DefinitionA bromide salt consisting of two bromide ions and one pancuronium dication.
Last Modified1 March 2011
DownloadsMolfile
Formula2Br.C35H60N2O4
Net Charge0
Average Mass732.683
Monoisotopic Mass730.29198
SMILES[Br-].[Br-].[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/C35H60N2O4.2BrH/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;2*1H/q+2;;/p-2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-;;/m0../s1
InChIKeyNPIJXCQZLFKBMV-YTGGZNJNSA-L
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 bromide (CHEBI:7908) has part pancuronium (CHEBI:7907)
pancuronium bromide (CHEBI:7908) has role cholinergic antagonist (CHEBI:48873)
pancuronium bromide (CHEBI:7908) has role muscle relaxant (CHEBI:51371)
pancuronium bromide (CHEBI:7908) has role nicotinic antagonist (CHEBI:48878)
pancuronium bromide (CHEBI:7908) is a bromide salt (CHEBI:22925)
IUPAC Name 
3α,17β-diacetoxy-2β,16β-bis(1-methylpiperidinium-1-yl)-5α-androstane dibromide
INNs  Source
pancuronium bromideChemIDplus
bromure de pancuroniumChemIDplus
pancuronii bromidumChemIDplus
bromuro de pancuronioChemIDplus
Synonyms  Source
2β,16β-dipiperidino-5α-androstane-3α,17β-diol diacetate dimethobromideChemIDplus
3α,17β-diacetoxy-2β,16β-dipiperidino-5α-androstane dimethobromideChemIDplus
(2β,3α,5α,16β,17β)-3,17-bis(acetyloxy)-2,16-bis(1-methylpiperidinium-1-yl)androstane dibromideIUPAC
Brand Names  Source
PavulonKEGG DRUG
MioblockDrugBank
Manual XrefsDatabases
D00492KEGG DRUG
DB01337DrugBank
Registry NumbersSources
Reaxys:4226892Reaxys
CAS:15500-66-0KEGG DRUG
CAS:15500-66-0ChemIDplus