Molecular Identity
ESMOLOL
methyl 3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoate
PubChem CID: 59768
Methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate is a methyl ester that is methyl 3-(4-hydroxyphenyl)propanoate in which the hydrogen attached to the phenolic hydroxy group is substituted by a 2-hydroxy-3-(isopropylamino)propyl group. It is a member of ethanolamines, a methyl ester, an aromatic ether, a secondary alcohol and a secondary amino compound. It is functionally related to a 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoic acid.
2D Structure
Properties
C16H25NO4
Molecular Formula
295.37
Molecular Weight
g/mol
295.1784
Exact Mass
Da
1.9
XLogP
Drug-like (Lipinski: < 5)
67.8
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
288
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
ESMOLOL81147-92-4(+-)-EsmololMDY902UXSRBenzenepropanoic acid, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, methyl esterASL-8052-001Methyl 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)benzenepropanoateDTXSID4022995methyl 3-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)propanoatemethyl p-(2-hydroxy-3-(isopropylamino)propoxy)hydrocinnamateesmololummethyl 3-(4-(2-hydroxy-3-((propan-2-yl)amino)propoxy)phenyl)propanoate3-(4-(2-Hydroxy-3-isopropylamino-propoxy)-phenyl)-propionic acid methyl ester3-[4-(2-Hydroxy-3-isopropylamino-propoxy)-phenyl]-propionic acid methyl esterBenzenepropanoic acid, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, methyl ester
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to ESMOLOL
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