Compound: ESMOLOL
SMILES: O=C(OC)CCc1ccc(OCC(O)CNC(C)C)cc1
InChIKey: AQNDDEOPVVGCPG-UHFFFAOYSA-N
Synonyms: ESMOLOL, 81147-92-4, (+-)-Esmolol, MDY902UXSR, Benzenepropanoic acid, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, methyl ester, ASL-8052-001, Methyl 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)benzenepropanoate, DTXSID4022995, methyl 3-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)propanoate, methyl p-(2-hydroxy-3-(isopropylamino)propoxy)hydrocinnamate, esmololum, methyl 3-(4-(2-hydroxy-3-((propan-2-yl)amino)propoxy)phenyl)propanoate, 3-(4-(2-Hydroxy-3-isopropylamino-propoxy)-phenyl)-propionic acid methyl ester, 3-[4-(2-Hydroxy-3-isopropylamino-propoxy)-phenyl]-propionic acid methyl ester, Benzenepropanoic acid, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, methyl ester, RefChem:56563, CHEBI:4856, DTXCID702995, C07AB09, (+-)-methyl p-(2-hydroxy-3-(isopropylamino)propoxy)hydrocinnamate, 103598-03-4, ASL 8052-001, methyl 3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoate, Esmolol (INN), (+/-)-esmolol, methyl 3-(4-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)propanoate, MFCD00864566, ESMOLOL [INN], Esmolol [INN:BAN], (+/-)-methyl p-(2-hydroxy-3-(isopropylamino)propoxy)hydrocinnamate, methyl 3-[4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]propanoate, methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate, NCGC00185766-01, UNII-MDY902UXSR, BRN 5287174, SR-01000763706, 3-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)PROPIONIC ACID METHYL ESTER, 3-[4-[2-Hydroxy-3-(isopropylamino)propoxy]phenyl]propionic Acid Methyl Ester, Esmolol Impurity 106, ESMOLOL [VANDF], ESMOLOL [MI], GlyTouCan:G51578GD, ESMOLOL [WHO-DD], CHEMBL768, SCHEMBL3605, GTPL7178, CHEBI:88206, HY-B1392A, HMS2090P06, HMS3743M15, HMS3886F03, HMS5085D07, G51578GD, BDBM50404796, EBC-26499, Methyl 3-[4-[2-Hydroxy-3-(isopropylamino)propoxy]phenyl]propionate, s5778, AKOS015960734, methyl 3-[4-({2-hydroxy-3-[(1-methylethyl)amino]propyl}oxy)phenyl]propanoate, DB00187, SL-8052, MRF-0000253, NCGC00185766-02, NCGC00185766-05, AC-12058, AC-35197, DB-015362, DB-297892, E1106, NS00002313, C06980, D07916, D90594, AB00698516-07, AB00698516-09, AB00698516_10, EN300-7384765, L001332, Q418139, SR-01000763706-3, BRD-A07395371-003-10-0, 3-[4-[2-Hydroxy-3-(isopropylamino)propoxy]phenyl]propionic Aacid Methyl Ester, BENZENEPROPANOIC ACID, 4-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)-, METHYL ESTER, (+/-)-
Theoretical properties:
molecular_formula: C16H25NO4
molecular_weight: 295.37 g/mol
exact_mass: 295.17835828 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 10
heavy_atom_count: 21
topological_polar_surface_area: 67.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
solubility: Very soluble as hydrochloride salt
Descriptions:
pubchem: Methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate is a methyl ester that is methyl 3-(4-hydroxyphenyl)propanoate in which the hydrogen attached to the phenolic hydroxy group is substituted by a 2-hydroxy-3-(isopropylamino)propyl group. It is a member of ethanolamines, a methyl ester, an aromatic ether, a secondary alcohol and a secondary amino compound. It is functionally related to a 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoic acid.
chebi: A methyl ester that is methyl 3-(4-hydroxyphenyl)propanoate in which the hydrogen attached to the phenolic hydroxy group is substituted by a 2-hydroxy-3-(isopropylamino)propyl group.
chembl: ESMOLOL is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Esmolol, sold under the brand name Brevibloc, is a cardio selective beta1 receptor blocker with rapid onset, a very short duration of action, and no significant intrinsic sympathomimetic or membrane stabilising activity at therapeutic dosages.
It is a class II antiarrhythmic. Esmolol decreases the force and rate of heart contractions by blocking beta-adrenergic receptors of the sympathetic nervous system, which are found in the heart and other organs of the body. Esmolol prevents the action of two naturally occurring substances: epinephrine and norepinephrine.
It was patented in 1980 and approved for medical use in 1987.