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Isoprenaline hydrochloride(CAS No. 51-30-9)

Isoprenaline hydrochloride C11H18ClNO3 (cas 51-30-9) Molecular Structure

51-30-9 Structure

Identification and Related Records

【Name】
Isoprenaline hydrochloride
【CAS Registry number】
51-30-9
【Synonyms】
1,2-Benzenediol,4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-, hydrochloride (9CI)
Benzylalcohol, 3,4-dihydroxy-a-[(isopropylamino)methyl]-, hydrochloride (8CI)
Protocatechuyl alcohol, a-(isopropylaminomethyl)-,hydrochloride (5CI)
1-(3,4-Dihydroxyphenyl)-2-(isopropylamino)ethanol hydrochloride
3,4-Dihydroxy-a-(isopropylaminomethyl)benzylalcohol hydrochloride
Aerolone
Aerotrol
Asthpul
DL-Isoprenalinehydrochloride
DL-Isoproterenol hydrochloride
Euspiran
Isadrine
Isomenyl
Isoprel
Isoprenaline chloride
【EINECS(EC#)】
200-089-8
【Molecular Formula】
C11H18ClNO3 (Products with the same molecular formula)
【Molecular Weight】
247.72
【Inchi】
InChI=1S/C11H17NO3.ClH/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;/h3-5,7,11-15H,6H2,1-2H3;1H
【Canonical SMILES】
CC(C)NCC(C1=CC(=C(C=C1)O)O)O.Cl
【MOL File】
51-30-9.mol

Chemical and Physical Properties

【Appearance】
white crystalline powder
【Density】
1.324 g/cm3
【Melting Point】
165-175 °C (dec.)(lit.)
【Boiling Point】
417.5 °C at 760 mmHg
【Flash Point】
179.7 °C
【Water】
Soluble
【Solubilities】
Soluble
【Stability】
Stable, but may be air and light sensitive. Incompatible with strong oxidizing agents.
【Storage temp】
Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.
【Computed Properties】
Molecular Weight:247.71852 [g/mol]
Molecular Formula:C11H18ClNO3
H-Bond Donor:5
H-Bond Acceptor:4
Rotatable Bond Count:4
Tautomer Count:10
Exact Mass:247.097521
MonoIsotopic Mass:247.097521
Topological Polar Surface Area:72.7
Heavy Atom Count:16
Formal Charge:0
Complexity:187
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2

Safety and Handling

【Hazard Codes】
Xi: Irritant;
【Risk Statements】
R36/37/38
【Safety Statements 】
26-36
【Safety】
Hazard Codes:Xi
Risk Statements:36/37/38
36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements:26-36
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
WGK Germany:2
【Specification】

white crystalline powder
Safety Statements:26-36
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing

Use and Manufacturing

【Usage】
Pharmaceutical.

Biomedical Effects and Toxicity

【Biological Activity】
Standard selective β -adrenoceptor agonist; vasorelaxant and bronchodilator. Activation of β 2 receptors activates downstream PKA and ERK, and may stimulate NO-mediated endothelium-dependent smooth muscle relaxation. Active in vivo . Also available as part of the β -Adrenoceptor Agonist Tocriset™ and Mixed Adrenergic Tocriset™ .
【Pharmacological Action】
- Drugs that selectively bind to and activate beta-adrenergic receptors.
- Agents that cause an increase in the expansion of a bronchus or bronchial tubes.
- Agents that have a strengthening effect on the heart or that can increase cardiac output. They may be CARDIAC GLYCOSIDES; SYMPATHOMIMETICS; or other drugs. They are used after MYOCARDIAL INFARCT; CARDIAC SURGICAL PROCEDURES; in SHOCK; or in congestive heart failure (HEART FAILURE).
- Drugs that mimic the effects of stimulating postganglionic adrenergic sympathetic nerves. Included here are drugs that directly stimulate adrenergic receptors and drugs that act indirectly by provoking the release of adrenergic transmitters.
【Biomedical Effects and Toxicity】
Standard selective β -adrenoceptor agonist; vasorelaxant and bronchodilator. Activation of β 2 receptors activates downstream PKA and ERK, and may stimulate NO-mediated endothelium-dependent smooth muscle relaxation. Active in vivo . Also available as part of the β -Adrenoceptor Agonist Tocriset™ and Mixed Adrenergic Tocriset™ .

Supplier Location

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