Esmolol

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Systematic / IUPAC Name: Methyl 3-{4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}propanoate

ID: Reference2082

Other Names: Methyl 4-{2-hydroxy-3-[(1-methylethyl)amino]propoxy}benzenepropanoate;
Methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate;
Benzenepropanoic acid, 4-{2-hydroxy-3-[(1-methylethyl)amino]propoxy}, methyl ester;
Methyl p-[2-hydroxy-3-(isopropylamino)propoxy]hydrocinnamate;
Methyl 3-[4-({2-hydroxy-3-[(1-methylethyl)amino]propyl}oxy)phenyl]propanoate

Formula: C16H25NO4

Class: Therapeutics/Prescription Drugs Sports Doping Drugs

Spectral Data

Esmolol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/20/2015 11:55:09 AM
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Identificators

InChI InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3
InChI Key AQNDDEOPVVGCPG-UHFFFAOYSA-N
Canonical SMILES CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)OC)O
CAS 84057943
Splash
Other Names Methyl 4-{2-hydroxy-3-[(1-methylethyl)amino]propoxy}benzenepropanoate;
Methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate;
Benzenepropanoic acid, 4-{2-hydroxy-3-[(1-methylethyl)amino]propoxy}, methyl ester;
Methyl p-[2-hydroxy-3-(isopropylamino)propoxy]hydrocinnamate;
Methyl 3-[4-({2-hydroxy-3-[(1-methylethyl)amino]propyl}oxy)phenyl]propanoate;
Methyl 3-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)propanoate

In Other Databases

Wikipedia Esmolol
ChemSpider 53916
PubChem 59768
KEGG C06980; D07916
ChEBI CHEBI:4856
ChEMBL CHEMBL768
ChemIDPlus 103598034; 081147924
DrugBank DB00187