Isoprenaline hydrochloride

Iupac Name：4-[(1S,2R)-1-hydroxy-2-(propan-2-ylamino)butyl]benzene-1,2-diol;hydrochloride

CAS No.: 51-30-9

Molecular Weight：247.71900

Modify Date.: 2022-10-31 01:56

Introduction: Odorless white crystalline powder. Slightly bitter taste. Aqueous solutions turn brownish-pink upon prolonged exposure to air. View more+

Request For Quotation

1. Names and Identifiers

1.1 Name: Isoprenaline hydrochloride
1.2 Synonyms: (±)-Isoproterenol hydrochloride (+/-)-ISOPROTERENOL HYDROCHLORIDE [3H]-Isoproterenol hydrochloride 1,2-benzenediol, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-, hydrochloride 1,2-Benzenediol, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-, hydrochloride (1:1) 2-benzenediol,4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)-hydrochloride 3,4-dihydroxy-alpha-((isopropylamino)methyl)-benzylalcohohydrochloride 3,4-Dihydroxy-α-[(isopropylamino)methyl]benzyl alcohol hydrochloride 4-(1-Hydroxy-2-(isopropylamino)ethyl)pyrocatechol hydrochloride 4-[1-Hydroxy-2-(isopropylamino)ethyl]-1,2-benzenediol hydrochloride (1:1) 4-[1-hydroxy-2-(isopropylamino)ethyl]benzene-1,2-diol hydrochloride 4-[1-Hydroxy-2-(isopropylamino)ethyl]benzene-1,2-diol hydrochloride (1:1) 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol hydrochloride (1:1) 4-{1-hydroxy-2-[(1-methylethyl)amino]ethyl}benzene-1,2-diol hydrochloride alpha-(isopropylaminomethyl)-3,4-dihydroxybenzylalcoholhydrochloride DL-Isoprenaline hydrochloride DL-Isoproterenol hydrochloride EINECS 200-089-8 euspiran isadrine Isomenyl isoprenaline Isoprenaline (hydrochloride) Isoprenaline HCl Isoproterenol HCl ISOPROTERENOL HYDROCHLORIDE Isovon isuprel MFCD00012603 Mistarel N-ISOPROPYL-DL-NORADRENALINE HYDROCHLORIDE norisodrinehydrochloride proternol Pyrocatechol, 4-(1-hydroxy-2-(isopropylamino)ethyl)-, hydrochloride Saventrine IV Suscardia

1.3 CAS No.: 51-30-9

1.4 CID: 5807

1.5 EINECS(EC#): 200-089-8;219-927-9

1.6 Molecular Formula: C11H18ClNO3 (isomer)

1.7 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

1.8 InChkey: IROWCYIEJAOFOW-UHFFFAOYSA-N

1.9 Canonical Smiles: CC(C)NCC(C1=CC(=C(C=C1)O)O)O.Cl

1.10 Isomers Smiles: CC(C)NCC(C1=CC(=C(C=C1)O)O)O.Cl

2. Properties

2.1 Density: 1.324 g/cm3

2.1 Melting point: 165-175°C (dec.)(lit.)

2.1 Boiling point: 417.5ºC at 760 mmHg

2.1 Refractive index: 1.6000 (estimate)

2.1 Flash Point: 179.7ºC

2.1 Precise Quality: 247.09800

2.1 PSA: 72.72000

2.1 logP: 2.32210

2.1 Appearance: White to Almost white powder to crystaline

2.2 Storage: Ambient temperatures.

2.3 Chemical Properties: White or almost white, crystalline powder.

2.4 Water Solubility: Soluble

2.5 Stability: Stable, but may be air and light sensitive. Incompatible with strong oxidizing agents.

2.6 StorageTemp: 2-8°C

3. Use and Manufacturing

3.1 General Description: Odorless white crystalline powder. Slightly bitter taste. Aqueous solutions turn brownish-pink upon prolonged exposure to air.

3.2 Usage: Isoproterenol is a non-selective beta-adrenergic agonist. Isoproterenol is used in the treatment of bradycardia; bronchodilator.

4. Safety and Handling

4.1 Symbol: GHS07

4.1 Hazard Codes: Xi

4.1 Signal Word: Warning

4.1 Risk Statements: R36/37/38

4.1 Safety Statements: S26-S36

4.1 Fire Hazard: Flash point data for Isoprenaline hydrochloride are not available. Isoprenaline hydrochloride is probably combustible.

4.2 Hazard Declaration: H315-H319-H335

4.2 RIDADR: NONH for all modes of transport

4.2 Caution Statement: P261-P305 + P351 + P338

4.2 WGK Germany: 2

4.2 RTECS: DO1925000

4.2 Toxicity: LD50 oral in rabbit: 3070mg/kg

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.
Storage	P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

View all

6. NMR Spectrum

13C NMR : in D2O

1H NMR : 400 MHz in D2O

IR : KBr disc

IR : nujol mull

Mass

7. Synthesis Route

51-30-9Total: 1 Synthesis Route

51-30-9 143 Suppliers

Literatures:
Venter, Daniel P. Tetrahedron, 1991 , vol. 47, # 27 p. 5019 - 5024
Yield: null

8. Precursor and Product

precursor:

51-30-9

product :

51-30-9

5984-95-2

18810-21-4

9. Other Information

9.0 BRN: 3917363

9.1 Target: Value

9.2 Chemical Properties: White or almost white, crystalline powder.

9.3 Uses: Isoproterenol is a non-selective beta-adrenergic agonist. Isoproterenol is used in the treatment of bradycardia; bronchodilator.

9.4 Uses: Isoproterenol hydrochloride is used as a selective β-adrenergic agonist, increases cytosolic cAMP.

9.5 Brand name: Isuprel (Hospira); Isuprel (Sanofi Aventis); Vapo- ISO (Fisons).

9.6 General Description: Odorless white crystalline powder. Slightly bitter taste. Aqueous solutions turn brownish-pink upon prolonged exposure to air.

9.7 Air & Water Reactions: May be sensitive to exposure to air and light. . Water soluble.

9.8 Reactivity Profile: An acid organic salt. Materials in this group are generally soluble in water. The resulting solutions contain moderate concentrations of hydrogen ions and have pH's of less than 7.0. They react as acids to neutralize bases. These neutralizations generate heat, but less or far less than is generated by neutralization of inorganic acids, inorganic oxoacids, and carboxylic acid. They usually do not react as either oxidizing agents or reducing agents but such behavior is not impossible.

9.9 Health Hazard: SYMPTOMS: Symptoms of exposure to Isoprenaline hydrochloride may include tremors, nervous apprehension, palpitations of the heart, epigastric distress, cardiac arrhythmias, myocardial necrosis, cardiac arrest, tachycardia, headache, flushing of the skin, anginal pain, nausea, dizziness, weakness, and sweating.

9.10 Fire Hazard: Flash point data for Isoprenaline hydrochloride are not available. Isoprenaline hydrochloride is probably combustible.

9.11 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? .

9.12 Biochem/physiol Actions: β-adrenoceptor agonist; increases cytosolic cAMP.

9.13 Usage: Isoproterenol hydrochloride is used as a selective β-adrenergic agonist, increases cytosolic cAMP.

10. Computational chemical data

Molecular Weight: 247.71900g/mol
Molecular Formula: C₁₁H₁₈ClNO₃
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 247.0975211
Monoisotopic Mass: 247.0975211
Complexity: 187
Rotatable Bond Count: 4
Hydrogen Bond Donor Count: 5
Hydrogen Bond Acceptor Count: 4
Topological Polar Surface Area: 72.7
Heavy Atom Count: 16
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 1
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 2
CACTVS Substructure Key Fingerprint: AAADceByMAAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAADDzhmAYyBoLAAgCAAiBCAAACAAAgIAAIiIAOiIgLNiKCkROEcAEk0BGZmAfQ8LYOIAABAAAAQABAAAIAAACAAAAAAAAAAA==

11. Recommended Suppliers

Global138SuppliersView all >>

Hebei Fanggan New Material Technology Co., LTD Diamond member

1YR

Products:chemicals
Tel:0311-18503114-031178503114
Email:mandy@rilonchem.com

High quality Isoprenaline hydrochloride（51-30-9）

Purity:99%Packing: 200kg/bag FOB
Price: 60 USD/kg
Time: 2023/05/30

Inquire

Wuhan Fortuna Chemical Co., Ltd. Diamond member

10YRS

Products:API,fine chemical&its intermediates,biological chemistry
Tel:0086-27-59207850
Email:info@fortunachem.com

Isoprenaline hydrochloride CAS 51-30-9

Purity:99%Packing: 200kg/bag FOB
Price: 10 USD/kg
Time: 2023/05/29

Inquire

Amitychem Corporation Diamond member

3YRS

Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
Tel:86-592-8883942
Email:sale@amitychem.com

Factory Supply Isoprenaline Hcl

Purity:99%Packing: 200kg/bag FOB
Price: 0.1 USD/kilogram
Time: 2023/03/01

Inquire

Dayang Chem (Hangzhou) Co., Ltd. Diamond member

12YRS

Products:Chemical products
Tel:86-571-88938639
Email:sales-gc@dycnchem.com

isoprenaline hydrochloride

Purity:99%Packing: 200kg/bag FOB
Price: 3 USD/kilogram
Time: 2023/04/23

Inquire

Hangzhou Utanpharma biology co,.Ltd Diamond member

6YRS

Products:Our company is an internationally oriented research based pharmaceutical company with headquarters located in Hangzhou,China.
Tel:86-571-86820258
Email:kevin@utanpharma.com

Isoprenaline hydrochloride