Molecular Identity
Phenylephrine
3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol
PubChem CID: 6041
Phenylephrine is a member of the class of the class of phenylethanolamines that is (1R)-2-(methylamino)-1-phenylethan-1-ol carrying an additional hydroxy substituent at position 3 on the phenyl ring. It has a role as a sympathomimetic agent, an alpha-adrenergic agonist, a cardiotonic drug, a protective agent, a mydriatic agent, a vasoconstrictor agent and a nasal decongestant. It is a member of phenylethanolamines, a member of phenols and a secondary amino compound. It is a conjugate base of a phenylephrine(1+).
2D Structure
Properties
C9H13NO2
Molecular Formula
167.20
Molecular Weight
g/mol
167.0946
Exact Mass
Da
-0.3
XLogP
Drug-like (Lipinski: < 5)
52.5
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
3
H-Bond Acceptors
130
Complexity
SMILES
Canonical SMILES
SMILES: CNCC(C1=CC(=CC=C1)O)OIsomeric SMILES
SMILES: CNC[C@@H](C1=CC(=CC=C1)O)OSynonyms(20)
phenylephrine59-42-7Metasynephrinem-OxedrineMezatonm-SympatolMetasympatolMesatonem-Sympatholm-SynephrineMetaoxedrineMetaoxedrinVisadronMesatonIsophrin
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Phenylephrine
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