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Details

Stereochemistry RACEMIC
Molecular Formula C15H23NO4.ClH
Molecular Weight 317.808
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Esmolol acid hydrochloride

SMILES

Cl.CC(C)NCC(O)COC1=CC=C(CCC(O)=O)C=C1

InChI

InChIKey=KIRQRJMXRCCUNZ-UHFFFAOYSA-N
InChI=1S/C15H23NO4.ClH/c1-11(2)16-9-13(17)10-20-14-6-3-12(4-7-14)5-8-15(18)19;/h3-4,6-7,11,13,16-17H,5,8-10H2,1-2H3,(H,18,19);1H

HIDE SMILES / InChI

Molecular Formula C15H23NO4
Molecular Weight 281.3474
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:46:14 GMT 2023
Edited
by admin
on Sat Dec 16 19:46:14 GMT 2023
Record UNII
9BRF3Y7PQD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Esmolol acid hydrochloride
Common Name English
Benzenepropanoic acid, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, hydrochloride (1:1)
Systematic Name English
Benzenepropanoic acid, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, hydrochloride
Systematic Name English
Code System Code Type Description
CAS
83356-60-9
Created by admin on Sat Dec 16 19:46:14 GMT 2023 , Edited by admin on Sat Dec 16 19:46:14 GMT 2023
PRIMARY
FDA UNII
9BRF3Y7PQD
Created by admin on Sat Dec 16 19:46:14 GMT 2023 , Edited by admin on Sat Dec 16 19:46:14 GMT 2023
PRIMARY
PUBCHEM
66971635
Created by admin on Sat Dec 16 19:46:14 GMT 2023 , Edited by admin on Sat Dec 16 19:46:14 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE