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CHEBI:90973 - (2S,3R)-glycopyrronium bromide

ChEBI IDCHEBI:90973
ChEBI Name(2S,3R)-glycopyrronium bromide
Stars
ASCII Name(2S,3R)-glycopyrronium bromide
DefinitionA glycopyrronium bromide that has (2S,3R)-configuration. The racemate, ritropirronium bromide, is used for treatment of chronic obstructive pulmonary disease.
Last Modified16 August 2016
SubmitterSteve
DownloadsMolfile
FormulaBr.C19H28NO3
Net Charge0
Average Mass398.341
Monoisotopic Mass397.12526
SMILESC[N+]1(C)CC[C@@H](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/t17-,19-;/m1./s1
InChIKeyVPNYRYCIDCJBOM-POCMBTLOSA-M
ChEBI Ontology
Outgoing Relation(s)
(2S,3R)-glycopyrronium bromide (CHEBI:90973) is a glycopyrronium bromide (CHEBI:90972)
(2S,3R)-glycopyrronium bromide (CHEBI:90973) is enantiomer of (2R,3S)-glycopyrronium bromide (CHEBI:90974)
Incoming Relation(s)
ritropirronium bromide (CHEBI:5494) has part (2S,3R)-glycopyrronium bromide (CHEBI:90973)
(2R,3S)-glycopyrronium bromide (CHEBI:90974) is enantiomer of (2S,3R)-glycopyrronium bromide (CHEBI:90973)
IUPAC Name 
(3R)-3-{[(2S)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]oxy}-1,1-dimethylpyrrolidin-1-ium bromide
Registry NumbersSources
Reaxys:9826105Reaxys
Citations