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| CAS No.: | 81161-17-3 |
|---|---|
| Name: | Esmolol hydrochloride |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C16H26ClNO4 |
| Molecular Weight: | 331.84 |
| Synonyms: | Benzenepropanoic acid, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, methyl ester, hydrochloride (9CI);Brevibloc;Esmolol hydrochloride [USAN];(+-)-Methyl p-(2-hydroxy-3-(isopropylamino)propoxy)hydrocinnamate hydrochloride;4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzenepropanoic acid methyl ester HCl;Benzenepropanoic acid, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, methyl ester, hydrochloride, (+-)-;Brevibloc in plastic container;Esmolol HCl;Benzenepropanoic acid, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, methyl ester, hydrochloride; |
| EINECS: | 636-017-0 |
| Density: | 1.026 g/cm3 |
| Melting Point: | 48-50 °C |
| Boiling Point: | 430.2 °C at 760 mmHg |
| Flash Point: | 214 °C |
| Solubility: | slightly soluble in water |
| Appearance: | white solid |
| Hazard Symbols: | 52/53:; |
| Risk Codes: | 52/53 |
| Safety: | 61 |
| PSA: | 67.79000 |
| LogP: | 2.72280 |
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Specification
Esmolol hydrochloride , its cas register number is 81161-17-3. The IPUAC name about this chemicals is Methyl 3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoate hydrochloride .The enthalpy of vaporization about it is 72.28 kJ/mol, vapour pressure is 3.62E-08 mmHg at 25 °C . If you want to store this chemicals , the temperature must be controlled at -20 °C. Product categories about this chemicals are Cardiovascular, Intermediates & Fine Chemicals, Pharmaceuticals.
Esmolol hydrochloride is a white solid and it is beta-adrenergic blocker used to treat certain types of tachycardia.It is harmful to aquatic organisms and it may cause long-term adverse effects in the aquatic environment. And if we use it, we need to avoid release to the environment, also we use it must refer to special instructions / safety data sheets. About this chemicals ,its RTECS number is DA8346000.
This chemicals can be described computed from structure:
1) SMILES: CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)OC)O.Cl
2) 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
The most important thing about Esmolol hydrochloride is the toxicity, following is the form:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LD50 | intravenous | 32mg/kg (32mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | New Cardiovascular Drugs. Vol. 3, Pg. 99, 1985. |
| man | TDLo | intravenous | 775ug/kg/14M- (0.775mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Drug Intelligence and Clinical Pharmacy. Vol. 22, Pg. 484, 1988. |
| mouse | LD50 | intravenous | 93mg/kg (93mg/kg) | New Cardiovascular Drugs. Vol. 3, Pg. 99, 1985. | |
| rabbit | LD50 | intravenous | 40mg/kg (40mg/kg) | New Cardiovascular Drugs. Vol. 3, Pg. 99, 1985. | |
| rat | LD50 | intravenous | 71mg/kg (71mg/kg) | New Cardiovascular Drugs. Vol. 3, Pg. 99, 1985. |