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CHEBI:90972 - glycopyrronium bromide

ChEBI IDCHEBI:90972
ChEBI Nameglycopyrronium bromide
Stars
DefinitionA quaternary ammonium salt composed of 3-{[cyclopentyl(hydroxy)phenylacetyl]oxy}-1,1-dimethylpyrrolidin-1-ium and bromide ions in a 1:1 ratio.
Last Modified18 January 2016
SubmitterSteve
DownloadsMolfile
FormulaBr.C19H28NO3
Net Charge0
Average Mass398.341
Monoisotopic Mass397.12526
SMILESC[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1.[Br-]
InChIInChI=1S/C19H28NO3.BrH/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15;/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3;1H/q+1;/p-1
InChIKeyVPNYRYCIDCJBOM-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
glycopyrronium bromide (CHEBI:90972) is a organic bromide salt (CHEBI:48369)
glycopyrronium bromide (CHEBI:90972) is a quaternary ammonium salt (CHEBI:35273)
Incoming Relation(s)
(2R,3S)-glycopyrronium bromide (CHEBI:90974) is a glycopyrronium bromide (CHEBI:90972)
(2S,3R)-glycopyrronium bromide (CHEBI:90973) is a glycopyrronium bromide (CHEBI:90972)
IUPAC Name 
3-{[cyclopentyl(hydroxy)phenylacetyl]oxy}-1,1-dimethylpyrrolidin-1-ium bromide
INNs  Source
bromuro de glicopirronioChemIDplus
bromure de glycopyrroniumChemIDplus
glycopyrronium bromideChemIDplus
glycopyrronii bromidumChemIDplus
Synonyms  Source
3-Hydroxy-1,1-dimethylpyrrolidinium bromide alpha-cyclopentylmandelateChemIDplus
1-Methyl-3-pyrrolidyl alpha-phenylcyclopentaneglycolate methobromideChemIDplus
1,1-Dimethyl-3-hydroxypyrrolidinium bromide alpha-cyclopentylmandelateChemIDplus
Registry NumbersSources
Reaxys:3642926Reaxys
CAS:596-51-0ChemIDplus