Molecular Identity
Salmeterol
2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol
PubChem CID: 5152
2-(hydroxymethyl)-4-(1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl)phenol is a phenol having a hydroxymethyl group at C-2 and a 1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl group at C-4; derivative of phenylethanolamine. It is a primary alcohol, an ether, a member of phenols, a secondary alcohol and a secondary amino compound. It is functionally related to a phenylethanolamine.
2D Structure
Properties
C25H37NO4
Molecular Formula
415.60
Molecular Weight
g/mol
415.2723
Exact Mass
Da
3.9
XLogP
Drug-like (Lipinski: < 5)
82
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
5
H-Bond Acceptors
403
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Salmeterol89365-50-4Salmeterolum2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenolGR 33343XSALMATEROLSN408DGR 33343 X2I4BC502BTDTXSID6023571GR-33343-XDTXCID8035714-(1-hydroxy-2-((6-(4-phenylbutoxy)hexyl)amino)ethyl)-2-(hydroxymethyl)phenol4-(1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl)-2-(hydroxymethyl)phenolNeovent
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Salmeterol
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