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umeclidinium

CHEBI:CHEBI_79041

Definition

A quaternary ammonium ion that is quinuclidine substituted at positions 1 and 4 by 2-(benzyloxy)ethyl and hydroxy(diphenyl)methyl groups respectively.

Chemical Information

Molecular Formula
C29H34NO2
Molecular Mass
428.58520
Charge
+1
SMILES
OC(c1ccccc1)(c1ccccc1)[C@]12CC[N@+](CCOCc3ccccc3)(CC1)CC2
InChI
InChI=1S/C29H34NO2/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25/h1-15,31H,16-24H2/q+1/t28-,30+
InChIKey
FVTWTVQXNAJTQP-KRKINAOUSA-N

Alternative Names

  • 1-[2-(benzyloxy)ethyl]-4-[hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octane

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

oboInOwl#hasDbXref
PMID:24947493
DRON_00010000
1487514
core#notation
CHEBI:79041

Additional References

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Additional Attributes

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chebi_ontology
oboInOwl#hasDbXref
PMID:24947493
DRON_00010000
1487514
oboInOwl#id
CHEBI:79041
core#notation
CHEBI:79041
RO_0000087
http://purl.obolibrary.org/obo/CHEBI_48876
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
rdf-schema#domain
https://w3id.org/def/predibionto#has_side_effect35477
owl#annotatedSource
t300648
owl#someValuesFrom
t3201560