Ellipta
4-[(1R)-2-[6-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]hexylamino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol;diphenyl-[1-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol;bromide
Molecular Identity
Ellipta
4-[(1R)-2-[6-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]hexylamino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol;diphenyl-[1-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol;bromide
PubChem CID: 71300746
2D Structure
Properties
C53H67BrCl2N2O7
Molecular Formula
994.90
Molecular Weight
g/mol
992.3509
Exact Mass
Da
121
TPSA
Good oral absorption (< 140 A²)
5
H-Bond Donors
9
H-Bond Acceptors
1010
Complexity
SMILES
Canonical SMILES
SMILES: C1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCOCC5=CC=CC=C5.C1=CC(=C(C(=C1)Cl)COCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O)Cl.[Br-]Isomeric SMILES
SMILES: C1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCOCC5=CC=CC=C5.C1=CC(=C(C(=C1)Cl)COCCOCCCCCCNC[C@@H](C2=CC(=C(C=C2)O)CO)O)Cl.[Br-]Synonyms(9)
ElliptaUmeclidinium/vilanterolVilanterol / UmeclidiniumUmeclidinium and vilanterolSCHEMBL29353326Umeclidinium bromide / vilanterolUmeclidinium bromide and vilanterolGSK 573719S900006130
Data from PubChem (NCBI)
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