U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C16H25NO4.ClH
Molecular Weight 331.835
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ESMOLOL HYDROCHLORIDE

SMILES

Cl.COC(=O)CCC1=CC=C(OCC(O)CNC(C)C)C=C1

InChI

InChIKey=GEKNCWBANDDJJL-UHFFFAOYSA-N
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

HIDE SMILES / InChI
Molecular Formula C16H25NO4
Molecular Weight 295.374
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

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:05:45 UTC 2023
Edited
by admin
on Fri Dec 15 15:05:45 UTC 2023
Record UNII
V05260LC8D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ESMOLOL HYDROCHLORIDE
HSDB   JAN   MART.   MI   ORANGE BOOK   USAN   USP-RS   VANDF   WHO-DD  
USAN  
Official Name English
ASL-8052
Code English
ESMOLOL HYDROCHLORIDE [HSDB]
Common Name English
BENZENEPROPANOIC ACID, 4-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)-, METHYL ESTER, HYDROCHLORIDE (1:1)
Systematic Name English
ESMOLOL HCL
Common Name English
CLOL
Brand Name English
ESMOLOL HYDROCHLORIDE [MART.]
Common Name English
ESMOLOL HYDROCHLORIDE [ORANGE BOOK]
Common Name English
ESMOLOL HYDROCHLORIDE [VANDF]
Common Name English
Esmolol hydrochloride [WHO-DD]
Common Name English
BREVIBLOC
Brand Name English
ESMOLOL HYDROCHLORIDE [USAN]
Common Name English
(±)-METHYL P-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)HYDROCINNAMATE HYDROCHLORIDE
Common Name English
ESMOLOL HYDROCHLORIDE [MI]
Common Name English
BENZENEPROPANOIC ACID, 4-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)-, METHYL ESTER, HYDROCHLORIDE
Common Name English
ESMOLOL HYDROCHLORIDE [USP MONOGRAPH]
Common Name English
ESMOLOL HYDROCHLORIDE [USP-RS]
Common Name English
BENZENEPROPANOIC ACID, 4-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)-, METHYL ESTER, HYDROCHLORIDE, (±)-
Common Name English
ESMOLOL HYDROCHLORIDE [JAN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29576
Created by admin on Fri Dec 15 15:05:45 UTC 2023 , Edited by admin on Fri Dec 15 15:05:45 UTC 2023
Code System Code Type Description
RS_ITEM_NUM
1249701
Created by admin on Fri Dec 15 15:05:45 UTC 2023 , Edited by admin on Fri Dec 15 15:05:45 UTC 2023
PRIMARY
NCI_THESAURUS
C47519
Created by admin on Fri Dec 15 15:05:45 UTC 2023 , Edited by admin on Fri Dec 15 15:05:45 UTC 2023
PRIMARY
DRUG BANK
DBSALT000586
Created by admin on Fri Dec 15 15:05:45 UTC 2023 , Edited by admin on Fri Dec 15 15:05:45 UTC 2023
PRIMARY
HSDB
6530
Created by admin on Fri Dec 15 15:05:45 UTC 2023 , Edited by admin on Fri Dec 15 15:05:45 UTC 2023
PRIMARY
RXCUI
203222
Created by admin on Fri Dec 15 15:05:45 UTC 2023 , Edited by admin on Fri Dec 15 15:05:45 UTC 2023
PRIMARY RxNorm
CHEBI
4857
Created by admin on Fri Dec 15 15:05:45 UTC 2023 , Edited by admin on Fri Dec 15 15:05:45 UTC 2023
PRIMARY
MERCK INDEX
m5025
Created by admin on Fri Dec 15 15:05:45 UTC 2023 , Edited by admin on Fri Dec 15 15:05:45 UTC 2023
PRIMARY Merck Index
USAN
T-117
Created by admin on Fri Dec 15 15:05:45 UTC 2023 , Edited by admin on Fri Dec 15 15:05:45 UTC 2023
PRIMARY
FDA UNII
V05260LC8D
Created by admin on Fri Dec 15 15:05:45 UTC 2023 , Edited by admin on Fri Dec 15 15:05:45 UTC 2023
PRIMARY
SMS_ID
100000087271
Created by admin on Fri Dec 15 15:05:45 UTC 2023 , Edited by admin on Fri Dec 15 15:05:45 UTC 2023
PRIMARY
ChEMBL
CHEMBL768
Created by admin on Fri Dec 15 15:05:45 UTC 2023 , Edited by admin on Fri Dec 15 15:05:45 UTC 2023
PRIMARY
EPA CompTox
DTXSID7049003
Created by admin on Fri Dec 15 15:05:45 UTC 2023 , Edited by admin on Fri Dec 15 15:05:45 UTC 2023
PRIMARY
DAILYMED
V05260LC8D
Created by admin on Fri Dec 15 15:05:45 UTC 2023 , Edited by admin on Fri Dec 15 15:05:45 UTC 2023
PRIMARY
EVMPD
SUB01959MIG
Created by admin on Fri Dec 15 15:05:45 UTC 2023 , Edited by admin on Fri Dec 15 15:05:45 UTC 2023
PRIMARY
CAS
81161-17-3
Created by admin on Fri Dec 15 15:05:45 UTC 2023 , Edited by admin on Fri Dec 15 15:05:45 UTC 2023
PRIMARY
PUBCHEM
104769
Created by admin on Fri Dec 15 15:05:45 UTC 2023 , Edited by admin on Fri Dec 15 15:05:45 UTC 2023
PRIMARY
Related Record Type Details
Structure of ESMOLOL HYDROCHLORIDE, (S)-
ENANTIOMER -> RACEMATE
Structure of ESMOLOL
PARENT -> SALT/SOLVATE
Structure of ESMOLOL HYDROCHLORIDE, (R)-
ENANTIOMER -> RACEMATE
Structure of ESMOLOL HYDROCHLORIDE
BASIS OF STRENGTH->SUBSTANCE
NLT 98.0% and NMT 102.0% of C16H25NO4?HCl, calculated on the anhydrous basis
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Related Record Type Details
Structure of Methyl 3-{4-[3-(ethylamino)-2-hydroxypropoxy]phenyl}propionate
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of METHYL 3-(4-(5-AMINO-2-HYDROXYPENTYLOXY)PHENYL)PROPANOATE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of ESMOLOL ACID
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of ESMOLOL DIMER
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Related Record Type Details
Structure of ESMOLOL
ACTIVE MOIETY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966