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81161-17-3

Basic Information
CAS No.: 81161-17-3
Name: Esmolol hydrochloride
Molecular Structure:
Molecular Structure of 81161-17-3 (Esmolol hydrochloride)
Formula: C16H26ClNO4
Molecular Weight: 331.83
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
Transport Information:
PSA: 67.79000
LogP: 2.72280
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  • High quality Esmolol Hcl

  • Casno:

    81161-17-3

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  • Casno:

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  • esmolol hcl CAS NO. 81161-17-3

  • Casno:

    81161-17-3

    MSDS/COA Download

    esmolol hcl CAS NO. 81161-17-3

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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.