Esmolol acid
3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoic acid
Also Known As: Esmolol Acid|(R)-Esmolol Acid|Esmolol Impurity 4|Als 8123|Als-8123|Esmolol Acid (hydrochloride)|ASL-8123|(+/-)-ESMOLOL ACID|3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoic acid|ASL 8123|CS-T-21989|ESMOLOL FREE ACID [USP IMPURITY]|SID:134224214|3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoic acid|Benzenepropanoic acid, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-|3-{4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}propionic acid|3-(4-{2-Hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)propanoic acid|3-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)PROPIONIC ACID|4-[2-Hydroxy-3-(isopropylamino)propoxy]benzenepropanoic acid|3-(4-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl)propanoic acid|3-[4-[2-Hydroxy-3-(isopropylamino)propoxy]phenyl]propanoic acid|3-[4-[2-hydroxy-3-(isopropylamino)propoxyl] phenyl]propionic acid|Benzenepropanoic acid,4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-|ESMOLOL HYDROCHLORIDE IMPURITY, ESMOLOL FREE ACIDA- [USP IMPURITY]
| Molecular Formula | C15H23NO4 |
|---|---|
| Molecular Weight | 281.16272 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 281.16272 |
| Monoisotopic Mass | 281.16272 |
| Heavy Atoms | 20 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 85604-71-3 |
|---|---|
| SMILES | CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)O)O |
| InChIKey | ILSCWPMGTDPATI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Esmolol acid (CAS 85604-71-3), with molecular formula C15H23NO4 and molecular weight 281.16272 g/mol. IUPAC: 3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoic acid.