Umeclidinium
diphenyl-[1-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol
Molecular Identity
Umeclidinium
diphenyl-[1-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol
PubChem CID: 11519070
Umeclidinium is a quaternary ammonium ion that is quinuclidine substituted at positions 1 and 4 by 2-(benzyloxy)ethyl and hydroxy(diphenyl)methyl groups respectively. It has a role as a muscarinic antagonist.
2D Structure
Properties
C29H34NO2+
Molecular Formula
428.60
Molecular Weight
g/mol
428.2590
Exact Mass
Da
4.7
XLogP
Drug-like (Lipinski: < 5)
29.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
2
H-Bond Acceptors
543
Complexity
SMILES
Canonical SMILES
SMILES: C1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCOCC5=CC=CC=C5Isomeric SMILES
SMILES: C1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCOCC5=CC=CC=C5Synonyms(20)
UMECLIDINIUMUmeclidinium ion869185-19-3Umeclidinium cationGSK573719GE2T1418SVGSK-573719CHEBI:79041DTXSID002359711-(2-(BENZYLOXY)ETHYL)-4-(HYDROXY(DIPHENYL)METHYL)-1-AZONIABICYCLO(2.2.2)OCTANE1-[2-(benzyloxy)ethyl]-4-[hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octanedi(phenyl)-(1-(2-(phenylmethoxy)ethyl)-1-azoniabicyclo(2.2.2)octan-4-yl)methanoldi(phenyl)-[1-[2-(phenylmethoxy)ethyl]-1-azoniabicyclo[2.2.2]octan-4-yl]methanolRefChem:57760DTXCID30158462
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Umeclidinium
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