CHEBI:90974 - (2R,3S)-glycopyrronium bromide

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ChEBI Name (2R,3S)-glycopyrronium bromide
ChEBI ID CHEBI:90974
ChEBI ASCII Name (2R,3S)-glycopyrronium bromide
Definition A glycopyrronium bromide that has (2R,3S)-configuration. The racemate, ritropirronium bromide, is used for treatment of chronic obstructive pulmonary disease.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C19H28BrNO3
Net Charge 0
Average Mass 398.335
Monoisotopic Mass 397.12526
InChI InChI=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-;/m0./s1
InChIKey VPNYRYCIDCJBOM-QQTWVUFVSA-M
SMILES [C@@](C(O[C@@H]1C[N+](CC1)(C)C)=O)(C2CCCC2)(C=3C=CC=CC3)O.[Br-]
ChEBI Ontology
Outgoing (2R,3S)-glycopyrronium bromide (CHEBI:90974) is a glycopyrronium bromide (CHEBI:90972)
(2R,3S)-glycopyrronium bromide (CHEBI:90974) is enantiomer of (2S,3R)-glycopyrronium bromide (CHEBI:90973)
Incoming ritropirronium bromide (CHEBI:5494) has part (2R,3S)-glycopyrronium bromide (CHEBI:90974)
(2S,3R)-glycopyrronium bromide (CHEBI:90973) is enantiomer of (2R,3S)-glycopyrronium bromide (CHEBI:90974)
IUPAC Name
(3S)-3-{[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]oxy}-1,1-dimethylpyrrolidin-1-ium bromide
Registry Number Type Source
9826108 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22257577 PubMed citation Europe PMC
Last Modified
16 August 2016