CAS Number81161-17-3
Synonymsesmolol hcl; Esmolol Hydrochloride; EsmololHclC16H25No4Hcl; 3-(4-{2-hydroxy-3-[(1-méthyléthyl)amino]propoxy}phényl)propanoate de méthyle chlorhydrate; Methyl-3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoathydrochlorid; methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate hydrochloride (1:1); benzenepropanoic acid, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, methyl ester, hydrochloride; MFCD00941432; methyl 3-(4-{2-hydroxy-3-[(1-methylethyl)amino]propoxy}phenyl)propanoate hydrochloride; Methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate hydrochloride; Methyl 3-{4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}propanoate hydrochloride (1:1); Methyl 3-{4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}propanoate hydrochloride; Brevibloc; Methyl-3-(4
Molecular FormulaC16H26ClNO4
Molecular Weight331.835
Purity98%
Density1.026
Boiling Point430.2ºC at 760 mmHg
Melting Point48-50ºC
Appearancewhite solid
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 81161-17-3 |
| Catalog No. | 2A-9010382 |
| Chinese Name | 盐酸艾司洛尔 |
| Synonyms | esmolol hcl; Esmolol Hydrochloride; EsmololHclC16H25No4Hcl; 3-(4-{2-hydroxy-3-[(1-méthyléthyl)amino]propoxy}phényl)propanoate de méthyle chlorhydrate; Methyl-3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoathydrochlorid; methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate hydrochloride (1:1); benzenepropanoic acid, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, methyl ester, hydrochloride; MFCD00941432; methyl 3-(4-{2-hydroxy-3-[(1-methylethyl)amino]propoxy}phenyl)propanoate hydrochloride; Methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate hydrochloride; Methyl 3-{4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}propanoate hydrochloride (1:1); Methyl 3-{4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}propanoate hydrochloride; Brevibloc; Methyl-3-(4 |
| Molecular Formula | C16H26ClNO4 |
| Molecular Weight | 331.835 |
| Purity | 98 |
| Density | 1.026 |
| Boiling Point | 430.2ºC at 760 mmHg |
| Melting Point | 48-50ºC |
| Appearance | white solid |
| Water Solubility | Slightly soluble |
| Storage Condition | −20°C |
| Application | Esmolol hydrochloride is a beta-adrenergic receptor inhibitor. |
| HTC | 2922199090 |
| 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 |
| InChI Key | GEKNCWBANDDJJL-UHFFFAOYSA-N |
| Use of | Esmolol Hydrochloride is a beta adrenergic receptor blocker.Target: Adrenergic receptorEsmolol Hydrochloride is the hydrochloride salt form of Esmolol, a short and rapid-acting beta adrenergic antagonist belonging to the class II anti-arrhythmic drugs and devoid of intrinsic sympathomimetic activity. Esmolol hydrochloride competitively blocks beta-1 adrenergic receptors in cardiac muscle and reduces the contractility and cardiac rate of heart muscle, thereby decreasing cardiac output and myocardial oxygen demands. This agent also decreases sympathetic output centrally and blocks renin secretion. At higher doses, Esmolol hydrochloride also blocks beta-2 receptors located in bronchial and vascular smooth muscle, thereby leading to smooth muscle relaxation. Properties Name esmolol hydrochloride Synonym More Synonyms Esmolol hydrochloride Biological Activity Description Esmolol Hydrochloride is a beta adrenergic receptor blocker.Target: Adrenergic receptorEsmolol Hydrochloride is the hydrochloride salt form of Esmolol, a short and rapid-acting beta adrenergic antagonist belonging to the class II anti-arrhythmic drugs and devoid of intrinsic sympathomimetic activity. Esmolol hydrochloride competitively blocks beta-1 adrenergic receptors in cardiac muscle and reduces the contractility and cardiac rate of heart muscle, thereby decreasing cardiac output and myocardial oxygen demands. This agent also decreases sympathetic output centrally and blocks renin secretion. At higher doses, Esmolol hydrochloride also blocks beta-2 receptors located in bronchial and vascular smooth muscle, thereby leading to smooth muscle relaxation. Related Catalog Signaling Pathways >> GPCR/G Protein >> Adrenergic Receptor Signaling Pathways >> Autophagy >> Autophagy Signaling Pathways >> Autophagy >> Mitophagy Research Areas >> Cardiovascular Disease Chemical & Physical Properties Exact Mass 331.155029 PSA 67.79000 LogP 2.72280 InChIKey GEKNCWBANDDJJL-UHFFFAOYSA-N Water Solubility Slightly soluble Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Benzenepropanoic acid, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, methyl ester, hydrochloride CAS REGISTRY NUMBER : 81161-17-3 LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : MOLECULAR WEIGHT : HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Human - man DOSE/DURATION : 775 ug/kg/14M-C TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold REFERENCE : DICPBB Drug Intelligence and Clinical Pharmacy. (POB 42435, Cincinnati, OH 45242) V.3- 1969- Volume(issue)/page/year: 22,484,1988 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NCDREP New Cardiovascular Drugs. (Raven Press, 1185 Ave. of the Americas, New York, NY 10036) 1985- Volume(issue)/page/year: 3,99,1985 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NCDREP New Cardiovascular Drugs. (Raven Press, 1185 Ave. of the Americas, New York, NY 10036) 1985- Volume(issue)/page/year: 3,99,1985 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Mammal - dog DOSE/DURATION : TOXIC EFFECTS : REFERENCE : NCDREP New Cardiovascular Drugs. (Raven Press, 1185 Ave. of the Americas, New York, NY 10036) 1985- Volume(issue)/page/year: 3,99,1985 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NCDREP New Cardiovascular Drugs. (Raven Press, 1185 Ave. of the Americas, New York, NY 10036) 1985- Volume(issue)/page/year: 3,99,1985 ** OTHER MULTIPLE DOSE TOXICITY DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Related to Chronic Data - death REFERENCE : NCDREP New Cardiovascular Drugs. (Raven Press, 1185 Ave. of the Americas, New York, NY 10036) 1985- Volume(issue)/page/year: 3,99,1985 Safety Information Signal Word Warning Hazard Statements H319 Precautionary Statements P305 + P351 + P338 Personal Protective Equipment Eyeshields;Gloves Hazard Codes Xi Safety Phrases 61 RIDADR NONH for all modes of transport WGK Germany - RTECS DA8346000 HS Code 2922199090 Synthetic Route Total: 1 Page Benzenepropanoi... CAS#:81147-94-6 isopropylamine CAS#:75-31-0 Esmolol hydroch... CAS#:81161-17-3 Desaminotyrosine CAS#:501-97-3 Esmolol hydroch... CAS#:81161-17-3 Literature: Synthetic Communications, , vol. 42, # 5 p. 722 - 726 Methyl 3-(4-hyd... CAS#:5597-50-2 Esmolol hydroch... CAS#:81161-17-3 Literature: Synthetic Communications, , vol. 42, # 5 p. 722 - 726 Precursor & DownStream Precursor 4 CAS#:81147-94-6 Benzenepropanoi... CAS#:75-31-0 isopropylamine CAS#:501-97-3 Desaminotyrosine CAS#:5597-50-2 Methyl 3-(4-hyd... DownStream 1 CAS#:81148-15-4 3-{4-[2-hydroxy... |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary 2922199090. other amino-alcohols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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