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CHEBI:9940 - vecuronium bromide

ChEBI IDCHEBI:9940
ChEBI Namevecuronium bromide
Stars
DefinitionThe organic bromide salt of a 5α-androstane compound having 3α-acetoxy-, 17β-acetoxy-, 2β-piperidinino- and 16β-N-methylpiperidinium substituents.
Last Modified10 December 2013
DownloadsMolfile
FormulaBr.C34H57N2O4
Net Charge0
Average Mass637.744
Monoisotopic Mass636.35017
SMILES[Br-].[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](OC(C)=O)[C@@H]([N+]5(C)CCCCC5)C[C@@]34[H])[C@@]1(C)C[C@H](N1CCCCC1)[C@@H](OC(C)=O)C2
InChIInChI=1S/C34H57N2O4.BrH/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;1H/q+1;/p-1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-;/m0./s1
InChIKeyVEPSYABRBFXYIB-PWXDFCLTSA-M
Wikipedia
Roles Classification
Biological Role:
nicotinic antagonist  An antagonist at the nicotinic cholinergic receptor.
Applications:
nicotinic antagonist  An antagonist at the nicotinic cholinergic receptor.
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.
neuromuscular agent  A drug used for its actions on skeletal muscle.
ChEBI Ontology
Outgoing Relation(s)
vecuronium bromide (CHEBI:9940) has functional parent 5α-androstane (CHEBI:28859)
vecuronium bromide (CHEBI:9940) has part vecuronium (CHEBI:9939)
vecuronium bromide (CHEBI:9940) has role muscle relaxant (CHEBI:51371)
vecuronium bromide (CHEBI:9940) has role neuromuscular agent (CHEBI:51372)
vecuronium bromide (CHEBI:9940) has role nicotinic antagonist (CHEBI:48878)
vecuronium bromide (CHEBI:9940) is a organic bromide salt (CHEBI:48369)
vecuronium bromide (CHEBI:9940) is a quaternary ammonium salt (CHEBI:35273)
IUPAC Name 
(2β,3α,5α,16β,17β)-3,17-diacetoxy-16-(1-methylpiperidinium-1-yl)-2-(piperidin-1-yl)androstane bromide
INNs  Source
vecuronium bromideKEGG DRUG
bromure de vecuroniumChemIDplus
bromuro de vecuronioChemIDplus
vecuronii bromidumChemIDplus
Synonyms  Source
1-(3alpha,17beta-Dihydroxy-2beta-piperidino-5alpha-androstan-16beta,5alpha-yl)-1-methylpiperidinium bromide, diacetateChemIDplus
1-[3α,17β-bis(acetoxy)-2β-(1-piperidinyl)-5α-androstan-16β-yl]-1-methylpiperidinium bromideChEBI
Manual XrefsDatabases
D00767KEGG DRUG
DB01339DrugBank
Vecuronium_bromideWikipedia
CN101843593Patent
Registry NumbersSources
Reaxys:7164568Reaxys
CAS:50700-72-6KEGG DRUG
CAS:50700-72-6DrugBank
CAS:50700-72-6ChemIDplus
Citations