ESMOLOL HYDROCHLORIDE

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Search structure


Synonyms	ASL-8052 Brevibloc Esmolol hcl Esmolol hydrochloride
Status
Molecule Category	Salt-form
UNII	V05260LC8D
EPA CompTox	DTXSID7049003

Structure


InChI Key	GEKNCWBANDDJJL-UHFFFAOYSA-N
Smiles	COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1.Cl
InChI	InChI=1S/C16H25NO4.ClH/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;1H

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C16H26ClNO4
Molecular Weight	331.84
AlogP	1.53
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	9.0
Polar Surface Area	67.79
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	21.0

Pharmacology

Mechanism of Action	Action	Reference
Beta-1 adrenergic receptor antagonist	ANTAGONIST	DailyMed

Target Conservation


Protein: Beta-2 adrenergic receptor Description: Beta-2 adrenergic receptor Organism : Homo sapiens P07550 ENSG00000169252












Protein: Beta-1 adrenergic receptor Description: Beta-1 adrenergic receptor Organism : Homo sapiens P08588 ENSG00000043591

Cross References

Resources	Reference
ChEBI	4857
ChEMBL	CHEMBL1201115
FDA SRS	V05260LC8D
SureChEMBL	SCHEMBL41086

CONTENTS

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025